smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000000626436	483395372	/nfs/dbraw/zinc/39/53/72/483395372.db2.gz	UYWUMFGDPBMNCA-CAEXGNQWSA-N	0	0	362.331	-0.284	40	0		FBABRN
Cn1c2ncn(CC(=O)N3C(=O)c4ccccc4C3=O)c2c(=O)n(C)c1=O	ZINC000000781521	219320167	/nfs/dbraw/zinc/32/01/67/219320167.db2.gz	GYUYKEPTERJNTR-UHFFFAOYSA-N	0	0	367.321	-0.744	40	0		FBABRN
COc1ccc(CNC(=O)Cn2cnc3c2n(C)c(=O)n(C)c3=O)cc1	ZINC000000810495	206134526	/nfs/dbraw/zinc/13/45/26/206134526.db2.gz	JPBWZMPWIYIXCV-UHFFFAOYSA-N	0	0	357.370	-0.241	40	0		FBABRN
Cn1c2ncn(CC(=O)OCC(=O)c3ccc(F)cc3)c2c(=O)n(C)c1=O	ZINC000000820318	209376660	/nfs/dbraw/zinc/37/66/60/209376660.db2.gz	IPHQBPAOKKSBEN-UHFFFAOYSA-N	0	0	374.328	-0.001	40	0		FBABRN
Cn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000000928644	209383117	/nfs/dbraw/zinc/38/31/17/209383117.db2.gz	SHUUOISMIKVJJA-UHFFFAOYSA-N	0	0	363.399	-0.028	40	0		FBABRN
CN1CCN(S(=O)(=O)c2cnccc2N2CCN(CCO)CC2)CC1	ZINC000000987792	132379412	/nfs/dbraw/zinc/37/94/12/132379412.db2.gz	NXHGNZDJMUZFJG-UHFFFAOYSA-N	0	0	369.491	-0.868	40	0		FBABRN
CC(=O)c1nnn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1C	ZINC000001102706	534955449	/nfs/dbraw/zinc/95/54/49/534955449.db2.gz	GALARTDZLCTTLX-UHFFFAOYSA-N	0	0	374.405	-0.363	40	0		FBABRN
Cn1c(SCC(=O)NC[C@H]2CCCO2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000001222732	484134864	/nfs/dbraw/zinc/13/48/64/484134864.db2.gz	MIYHQTWTRAMAFW-SECBINFHSA-N	0	0	367.431	-0.642	40	0		FBABRN
Cn1c(SCC(=O)NC[C@@H]2CCCO2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000001222733	209385536	/nfs/dbraw/zinc/38/55/36/209385536.db2.gz	MIYHQTWTRAMAFW-VIFPVBQESA-N	0	0	367.431	-0.642	40	0		FBABRN
O=C(Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O)c1ccccc1	ZINC000001235954	483395913	/nfs/dbraw/zinc/39/59/13/483395913.db2.gz	NZDWTKFDAUOODA-PYERRIOISA-N	0	0	371.353	-0.310	40	0		FBABRN
O=CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1	ZINC000001330350	206146975	/nfs/dbraw/zinc/14/69/75/206146975.db2.gz	YPFJEKFVPODRKR-UHFFFAOYSA-N	0	0	373.456	-0.410	40	0		FBABRN
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1	ZINC000001330354	209387258	/nfs/dbraw/zinc/38/72/58/209387258.db2.gz	UHXPMMNGAJVHGT-UHFFFAOYSA-N	0	0	361.445	-0.600	40	0		FBABRN
COC(CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)OC	ZINC000001330355	209388163	/nfs/dbraw/zinc/38/81/63/209388163.db2.gz	GFZQTDVXXUGYFR-UHFFFAOYSA-N	0	0	352.434	-0.166	40	0		FBABRN
O=C(Cn1cc(I)c(=O)[nH]c1=O)N1CCOCC1	ZINC000001350605	206148351	/nfs/dbraw/zinc/14/83/51/206148351.db2.gz	WCNOAENQAPWOCN-UHFFFAOYSA-N	0	0	365.127	-1.000	40	0		FBABRN
COc1ccc(-c2nnn(CC(=O)NC[C@H]3COCCO3)n2)cc1OC	ZINC000001360626	219398740	/nfs/dbraw/zinc/39/87/40/219398740.db2.gz	GDPACUKLVAHVHZ-LBPRGKRZSA-N	0	0	363.374	-0.111	40	0		FBABRN
COc1ccc(-c2nnn(CC(=O)NC[C@@H]3COCCO3)n2)cc1OC	ZINC000001360628	206148384	/nfs/dbraw/zinc/14/83/84/206148384.db2.gz	GDPACUKLVAHVHZ-GFCCVEGCSA-N	0	0	363.374	-0.111	40	0		FBABRN
Cc1ccc(-c2nnn(CC(=O)N3CCOCC3)n2)c(-n2cnnn2)c1	ZINC000001361509	209390845	/nfs/dbraw/zinc/39/08/45/209390845.db2.gz	HHGGXFSHCUQCLN-UHFFFAOYSA-N	0	0	355.362	-0.517	40	0		FBABRN
O=C(Nc1ncnc2c1ncn2[C@@H](CO)OC(CO)CO)c1ccccc1	ZINC000001439769	204007007	/nfs/dbraw/zinc/00/70/07/204007007.db2.gz	SXELZTFNKQYQAR-CYBMUJFWSA-N	0	0	373.369	-0.061	40	0		FBABRN
O=C(Nc1ncnc2c1ncn2[C@H](CO)OC(CO)CO)c1ccccc1	ZINC000001439770	483396080	/nfs/dbraw/zinc/39/60/80/483396080.db2.gz	SXELZTFNKQYQAR-ZDUSSCGKSA-N	0	0	373.369	-0.061	40	0		FBABRN
CCCc1c(-n2[nH]c(=O)n(-c3ccccc3)c2=O)c(=O)n(C)c(=O)n1C	ZINC000001566723	483397448	/nfs/dbraw/zinc/39/74/48/483397448.db2.gz	UEVUXXLFYUYMLD-UHFFFAOYSA-N	0	0	357.370	-0.334	40	0		FBABRN
COc1ccc(-c2nc3c(ncn3[C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c(N)n2)cc1	ZINC000001569791	210360834	/nfs/dbraw/zinc/36/08/34/210360834.db2.gz	VKSRAKNPXOTFAX-IMODNSLOSA-N	0	0	373.369	-0.304	40	0	in-vitro	FBABRN
CN1C(=O)C(=O)N(Cc2ccc(CN3C(=O)C(=O)N(C)C3=O)cc2)C1=O	ZINC000001573112	204012418	/nfs/dbraw/zinc/01/24/18/204012418.db2.gz	PPZWETGUOTVXGV-UHFFFAOYSA-N	0	0	358.310	-0.472	40	0		FBABRN
NC(=O)C(Br)(Br)C(=O)c1nc(N)nc(N)n1	ZINC000001574796	483396992	/nfs/dbraw/zinc/39/69/92/483396992.db2.gz	WDXMZZGEXUOPPP-UHFFFAOYSA-N	0	0	353.962	-0.810	40	0		FBABRN
CC(C)[C@@H]1N(N2C(=O)CS(=O)(=O)[C@@H]2C(C)C)C(=O)CS1(=O)=O	ZINC000001591203	219413180	/nfs/dbraw/zinc/41/31/80/219413180.db2.gz	GKCWEGDQEAJDNC-VXGBXAGGSA-N	0	0	352.434	-0.620	40	0		FBABRN
CC(C)[C@H]1N(N2C(=O)CS(=O)(=O)[C@H]2C(C)C)C(=O)CS1(=O)=O	ZINC000001591204	483397158	/nfs/dbraw/zinc/39/71/58/483397158.db2.gz	GKCWEGDQEAJDNC-RYUDHWBXSA-N	0	0	352.434	-0.620	40	0		FBABRN
CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1	ZINC000001592117	219413263	/nfs/dbraw/zinc/41/32/63/219413263.db2.gz	ZQSSDHYYVXUYHN-UHFFFAOYSA-N	0	0	356.514	-0.223	40	0		FBABRN
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OCO[C@@H]2COCO[C@@H]21	ZINC000001596239	206889757	/nfs/dbraw/zinc/88/97/57/206889757.db2.gz	KFYMILXCUBUEOH-FQKPHLNHSA-N	0	0	362.331	-0.473	40	0		FBABRN
CCC1(CCCC2(CC)C(=O)NC(=O)NC2=O)C(=O)NC(=O)NC1=O	ZINC000001596695	210362210	/nfs/dbraw/zinc/36/22/10/210362210.db2.gz	GXRSLRQEBSIRDY-UHFFFAOYSA-N	0	0	352.347	-0.319	40	0		FBABRN
O=c1n(Cc2ccccc2)c(=O)n2c(=O)n(Cc3ccccc3)c(=O)n12	ZINC000001652617	204016115	/nfs/dbraw/zinc/01/61/15/204016115.db2.gz	JMSFJKOOPNHFJU-UHFFFAOYSA-N	0	0	350.334	-0.383	40	0		FBABRN
Nc1nc(N)nc(SCCOCCSc2nc(N)nc(N)n2)n1	ZINC000001673404	483397651	/nfs/dbraw/zinc/39/76/51/483397651.db2.gz	VUMWETAGMWMFET-UHFFFAOYSA-N	0	0	356.441	-0.714	40	0		FBABRN
Nc1nc(N)c2nc(-c3ccc(N(CCO)CCO)cc3)c(N)nc2n1	ZINC000001681707	210365817	/nfs/dbraw/zinc/36/58/17/210365817.db2.gz	OSYMMLKUYCMXHZ-UHFFFAOYSA-N	0	0	356.390	-0.376	40	0		FBABRN
O=C(NC(NC(=O)N1C(=O)C=CC1=O)c1ccccc1)N1C(=O)C=CC1=O	ZINC000001692550	210366116	/nfs/dbraw/zinc/36/61/16/210366116.db2.gz	VVUHWQTZTIEXCG-UHFFFAOYSA-N	0	0	368.305	-0.046	40	0		FBABRN
CNc1ncnc2c1c(Br)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000001701357	210365776	/nfs/dbraw/zinc/36/57/76/210365776.db2.gz	JRADVRXGBGWSNP-CIPNSKCISA-N	0	0	359.180	-0.153	40	0		FBABRN
CCC1(NS(=O)(=O)c2ccc(N)cc2)C(=O)N(C)C(=O)N(C)C1=O	ZINC000001705187	483397576	/nfs/dbraw/zinc/39/75/76/483397576.db2.gz	IMRBJHMQAHMMQB-UHFFFAOYSA-N	0	0	354.388	-0.254	40	0		FBABRN
CC(=O)OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)C[C@H]1OC(C)=O	ZINC000001708083	484278902	/nfs/dbraw/zinc/27/89/02/484278902.db2.gz	QZGYRDUIRRZJHS-OPRDCNLKSA-N	0	0	351.319	-0.516	40	0		FBABRN
CC(=O)OC[C@H]1O[C@@H](n2ccc3c2ncnc3N)[C@@H](O)[C@@H]1OC(C)=O	ZINC000001711730	210368087	/nfs/dbraw/zinc/36/80/87/210368087.db2.gz	WCSSTZYHYXNWKG-NWJSVONSSA-N	0	0	350.331	-0.233	40	0		FBABRN
[NH3+][C@@H]1[C@H]2[C@@H]3C[C@H]4[N@H+](CC[C@]41C(=O)C(=O)[O-])CC3=CCO[C@@H]2CC(=O)[O-]	ZINC000001719139	210368382	/nfs/dbraw/zinc/36/83/82/210368382.db2.gz	SAYFSSIFBPEQHK-WYFDUULTSA-N	0	0	350.371	-0.522	40	0	in-vitro	FBABRN
CCOC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)cc1	ZINC000001729830	204017918	/nfs/dbraw/zinc/01/79/18/204017918.db2.gz	SLUAVZYBXLPFEL-UHFFFAOYSA-N	0	0	371.415	-0.931	40	0		FBABRN
CC(=O)OC[C@H]1O[C@@H](N2C(=O)C=CC2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000001755169	204017853	/nfs/dbraw/zinc/01/78/53/204017853.db2.gz	QBLWQLZBDIMNGG-QPKOPYBWSA-N	0	0	355.299	-0.937	40	0		FBABRN
CC(=O)N([C@H](CN1CC(=O)[O+]=N1)C(=O)[O-])S(=O)(=O)c1ccc(C)cc1	ZINC000001760369	206894634	/nfs/dbraw/zinc/89/46/34/206894634.db2.gz	LRFLJKZORVAMIH-GFCCVEGCSA-O	0	0	370.363	-0.333	40	0		FBABRN
COC(=O)Nc1nc2cc(C)c(C)cc2n1C[C@@H](O)[C@@H](O)[C@H](O)CO	ZINC000001870669	210373137	/nfs/dbraw/zinc/37/31/37/210373137.db2.gz	NSZAPDFIJRIASH-MGPQQGTHSA-N	0	0	353.375	-0.094	40	0		FBABRN
CSCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000002391051	210395505	/nfs/dbraw/zinc/39/55/05/210395505.db2.gz	KRLKICLNEICJGV-STQMWFEESA-N	0	0	353.444	-0.005	40	0		FBABRN
Nc1nc(Nc2ccccc2)nc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000002516035	484130006	/nfs/dbraw/zinc/13/00/06/484130006.db2.gz	SCNILGOVBBRMBK-OXUWNYNTSA-N	0	0	358.358	-0.236	40	0		FBABRN
CC(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000002522526	484522221	/nfs/dbraw/zinc/52/22/21/484522221.db2.gz	YTIZHZPRFYKRIG-PYJNHQTQSA-N	0	0	369.330	-0.851	40	0		FBABRN
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O	ZINC000002560823	206921192	/nfs/dbraw/zinc/92/11/92/206921192.db2.gz	JWOKDRAYGZVNAS-HUBLWGQQSA-N	0	0	363.414	-0.084	40	0		FBABRN
CC(=O)O[C@H]1[C@H](CO)O[C@H](n2cnc3c2ncnc3N)[C@H]1OC(C)=O	ZINC000002571377	484472844	/nfs/dbraw/zinc/47/28/44/484472844.db2.gz	OUQFHKYWNKYTTQ-AEHQLWAISA-N	0	0	351.319	-0.838	40	0		FBABRN
Cn1c2c(ncn2CC(=O)NCCOc2ccccc2)c(=O)n(C)c1=O	ZINC000002855604	484939642	/nfs/dbraw/zinc/93/96/42/484939642.db2.gz	WYJGPEPJCIOGSI-UHFFFAOYSA-N	0	0	357.370	-0.371	40	0		FBABRN
C[C@@H](NC(=O)C1=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](O)[C@H](O)C1)C(N)=O	ZINC000003838769	219525943	/nfs/dbraw/zinc/52/59/43/219525943.db2.gz	IHQYXKBDMNMDLJ-ICGCDAGXSA-N	0	0	368.434	-0.971	40	0	biogenic,in-vitro	FBABRN
NC(=O)CCNC(=O)C1=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](O)[C@H](O)C1	ZINC000003838789	483822040	/nfs/dbraw/zinc/82/20/40/483822040.db2.gz	FDKAEUQBGCKRPM-UMVBOHGHSA-N	0	0	368.434	-0.970	40	0	biogenic,in-vitro	FBABRN
Cc1ccc(C(=O)N[C@@H]2C=C(C(=O)NCCC(N)=O)C[C@@H](O)[C@@H]2O)cc1	ZINC000003838796	483822156	/nfs/dbraw/zinc/82/21/56/483822156.db2.gz	MYJYMLXARCOURY-IIAWOOMASA-N	0	0	361.398	-0.863	40	0	biogenic,in-vitro	FBABRN
CCCNC(=O)N[C@@H]1C=C(C(=O)N[C@H](CC(C)C)C(N)=O)C[C@@H](O)[C@@H]1O	ZINC000003838806	483822198	/nfs/dbraw/zinc/82/21/98/483822198.db2.gz	YNLKVAXSLPWACK-AAVRWANBSA-N	0	0	370.450	-0.868	40	0	biogenic,in-vitro	FBABRN
Cc1ccc(NC(=O)N[C@@H]2C=C(C(=O)NCC(N)=O)C[C@@H](O)[C@@H]2O)cc1	ZINC000003840036	483822308	/nfs/dbraw/zinc/82/23/08/483822308.db2.gz	ABFFVVIEJHVRQB-UMVBOHGHSA-N	0	0	362.386	-0.861	40	0	biogenic,in-vitro	FBABRN
O=C1C=C[C@@H]2[C@H](N=NN2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)N1Cc1ccccc1	ZINC000003852688	210496137	/nfs/dbraw/zinc/49/61/37/210496137.db2.gz	XGHLLTHTHPIOQB-BBBIYRPKSA-N	0	0	360.370	-0.599	40	0		FBABRN
O=C1C=C[C@@H]2[C@@H](N=NN2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)N1Cc1ccccc1	ZINC000003852689	483408947	/nfs/dbraw/zinc/40/89/47/483408947.db2.gz	XGHLLTHTHPIOQB-GCPWGDDRSA-N	0	0	360.370	-0.599	40	0		FBABRN
O=C1C=C[C@H]2[C@H](N=NN2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)N1Cc1ccccc1	ZINC000003852691	204111634	/nfs/dbraw/zinc/11/16/34/204111634.db2.gz	XGHLLTHTHPIOQB-HQDWOHNQSA-N	0	0	360.370	-0.599	40	0		FBABRN
O=C1C=C[C@H]2[C@@H](N=NN2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)N1Cc1ccccc1	ZINC000003852692	483408257	/nfs/dbraw/zinc/40/82/57/483408257.db2.gz	XGHLLTHTHPIOQB-PUVXDUKWSA-N	0	0	360.370	-0.599	40	0		FBABRN
CO[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000004141138	207002286	/nfs/dbraw/zinc/00/22/86/207002286.db2.gz	BKJUFVXNIJMMKO-QRTUWBSPSA-N	0	0	361.347	-0.711	40	0		FBABRN
CO[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	ZINC000004141139	207002541	/nfs/dbraw/zinc/00/25/41/207002541.db2.gz	BKJUFVXNIJMMKO-RMEBNNNOSA-N	0	0	361.347	-0.711	40	0		FBABRN
CO[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O	ZINC000004141140	204123377	/nfs/dbraw/zinc/12/33/77/204123377.db2.gz	BKJUFVXNIJMMKO-JARUQAPTSA-N	0	0	361.347	-0.711	40	0		FBABRN
CO[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O	ZINC000004141141	210511820	/nfs/dbraw/zinc/51/18/20/210511820.db2.gz	BKJUFVXNIJMMKO-AHDPXTMNSA-N	0	0	361.347	-0.711	40	0		FBABRN
O=C(Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)c1ccccc1	ZINC000004159870	485005024	/nfs/dbraw/zinc/00/50/24/485005024.db2.gz	NZDWTKFDAUOODA-VDXNLZSASA-N	0	0	371.353	-0.310	40	0		FBABRN
O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)c1ccccc1	ZINC000004159871	484049546	/nfs/dbraw/zinc/04/95/46/484049546.db2.gz	NZDWTKFDAUOODA-BMGIQWSVSA-N	0	0	371.353	-0.310	40	0		FBABRN
O=C(Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1	ZINC000004159872	210080477	/nfs/dbraw/zinc/08/04/77/210080477.db2.gz	NZDWTKFDAUOODA-IMODNSLOSA-N	0	0	371.353	-0.310	40	0		FBABRN
O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1	ZINC000004159873	484049994	/nfs/dbraw/zinc/04/99/94/484049994.db2.gz	NZDWTKFDAUOODA-YRZLHWLASA-N	0	0	371.353	-0.310	40	0		FBABRN
CCOC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000004216918	219554635	/nfs/dbraw/zinc/55/46/35/219554635.db2.gz	DNSFRHGWFXEYEX-UHFFFAOYSA-N	0	0	362.429	-0.031	40	0		FBABRN
COc1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OCC(N)=O)CO[C@H]23)cc1	ZINC000004222752	485006437	/nfs/dbraw/zinc/00/64/37/485006437.db2.gz	BTNXYNWYUYJWIB-CTHBEMJXSA-N	0	0	351.359	-0.147	40	0	biogenic,in-vitro	FBABRN
Cc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@H](OCC(N)=O)CO[C@H]23)cc1	ZINC000004222755	206171584	/nfs/dbraw/zinc/17/15/84/206171584.db2.gz	MOQCSOJSEYUUCT-CTHBEMJXSA-N	0	0	356.400	-0.690	40	0	biogenic,in-vitro	FBABRN
COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(C)(=O)=O	ZINC000004270717	206174382	/nfs/dbraw/zinc/17/43/82/206174382.db2.gz	BQLFZPWLVFZTOT-LBPRGKRZSA-N	0	0	362.429	-0.506	40	0	biogenic,in-vitro	FBABRN
COC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN1C(=O)N1CCOCC1	ZINC000004270782	209418648	/nfs/dbraw/zinc/41/86/48/209418648.db2.gz	WPGFAPYCAULYHY-CQSZACIVSA-N	0	0	362.386	-0.167	40	0	biogenic,in-vitro	FBABRN
COC(=O)[C@H]1CN(C(=O)N2CCOCC2)CCN1C(=O)c1cccnc1	ZINC000004270804	485007621	/nfs/dbraw/zinc/00/76/21/485007621.db2.gz	SQNRZPNRCQNYFL-CQSZACIVSA-N	0	0	362.386	-0.167	40	0	biogenic,in-vitro	FBABRN
COCC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H](C(=O)OC)C1	ZINC000004270837	206173849	/nfs/dbraw/zinc/17/38/49/206173849.db2.gz	YDHOFDGPHMBOCH-CYBMUJFWSA-N	0	0	356.400	-0.293	40	0	biogenic,in-vitro	FBABRN
COC(=O)C1CC(C(=O)OC)(C(=O)OC)CC(C(=O)OC)(C(=O)OC)C1	ZINC000004277112	204129955	/nfs/dbraw/zinc/12/99/55/204129955.db2.gz	JSIMVXDUJAWHOE-UHFFFAOYSA-N	0	0	374.342	-0.376	40	0		FBABRN
CC(=O)OC[C@@H](OC(C)=O)C(OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	ZINC000004403119	207018359	/nfs/dbraw/zinc/01/83/59/207018359.db2.gz	NVKPIAUSOPISJK-ZIAGYGMSSA-N	0	0	362.331	-0.092	40	0		FBABRN
CC(=O)OC[C@H](OC(C)=O)C(OC(C)=O)[C@H](COC(C)=O)OC(C)=O	ZINC000004403126	484619085	/nfs/dbraw/zinc/61/90/85/484619085.db2.gz	NVKPIAUSOPISJK-KBPBESRZSA-N	0	0	362.331	-0.092	40	0		FBABRN
CO[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000004403337	204138413	/nfs/dbraw/zinc/13/84/13/204138413.db2.gz	UYWUMFGDPBMNCA-YYFQZIEXSA-N	0	0	362.331	-0.284	40	0		FBABRN
CN(Cc1ccc(Cl)cc1Cl)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000004416423	207019646	/nfs/dbraw/zinc/01/96/46/207019646.db2.gz	HYPPCWHFHWNNLK-RFQIPJPRSA-N	0	0	354.230	-0.139	40	0		FBABRN
CN(Cc1ccc(Cl)cc1Cl)C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000004416424	204137953	/nfs/dbraw/zinc/13/79/53/204137953.db2.gz	HYPPCWHFHWNNLK-YIYPIFLZSA-N	0	0	354.230	-0.139	40	0		FBABRN
COC(=O)CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000004498424	132254761	/nfs/dbraw/zinc/25/47/61/132254761.db2.gz	GNYOGAFGIVYDEZ-UHFFFAOYSA-N	0	0	355.420	-0.190	40	0		FBABRN
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](CO)O[C@@H]1n1cnc2c1ncnc2N	ZINC000004517516	484152471	/nfs/dbraw/zinc/15/24/71/484152471.db2.gz	OUQFHKYWNKYTTQ-CBRVECNMSA-N	0	0	351.319	-0.838	40	0		FBABRN
CC(=O)O[C@@H]1[C@@H](CO)O[C@H](n2cnc3c2ncnc3N)[C@@H]1OC(C)=O	ZINC000004517519	484152711	/nfs/dbraw/zinc/15/27/11/484152711.db2.gz	OUQFHKYWNKYTTQ-PYUPQCDSSA-N	0	0	351.319	-0.838	40	0		FBABRN
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](CO)O[C@@H]1n1cnc2c1ncnc2N	ZINC000004517521	219582341	/nfs/dbraw/zinc/58/23/41/219582341.db2.gz	OUQFHKYWNKYTTQ-KMUQISDUSA-N	0	0	351.319	-0.838	40	0		FBABRN
CC(=O)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OCc2ccccc2)[C@@H]1NC(C)=O	ZINC000004531088	263333620	/nfs/dbraw/zinc/33/36/20/263333620.db2.gz	JBCPKYZPQJNUCC-OVYGPGRDSA-N	0	0	352.387	-0.709	40	0		FBABRN
CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@H](O)[C@H]1NC(C)=O	ZINC000004531089	263333656	/nfs/dbraw/zinc/33/36/56/263333656.db2.gz	JBCPKYZPQJNUCC-BPKGMFCQSA-N	0	0	352.387	-0.709	40	0		FBABRN
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@H]1OC(C)=O	ZINC000004532523	483410772	/nfs/dbraw/zinc/41/07/72/483410772.db2.gz	RMUZLVNNQAJVHA-BIVLZKPYSA-N	0	0	353.371	-0.282	40	0		FBABRN
CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@H]1OC(C)=O	ZINC000004532524	207026759	/nfs/dbraw/zinc/02/67/59/207026759.db2.gz	RMUZLVNNQAJVHA-KSWRQPAISA-N	0	0	353.371	-0.282	40	0		FBABRN
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](O)[C@H](CO)O[C@@H]1OCc1ccccc1	ZINC000004532525	484152960	/nfs/dbraw/zinc/15/29/60/484152960.db2.gz	RMUZLVNNQAJVHA-UTSKFRMZSA-N	0	0	353.371	-0.282	40	0		FBABRN
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](O)[C@H](CO)O[C@@H]1OCc1ccccc1	ZINC000004532526	209425652	/nfs/dbraw/zinc/42/56/52/209425652.db2.gz	RMUZLVNNQAJVHA-SIRPWMCASA-N	0	0	353.371	-0.282	40	0		FBABRN
O=C([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N(C1CCCCC1)C1CCCCC1	ZINC000004692139	483412007	/nfs/dbraw/zinc/41/20/07/483412007.db2.gz	PSXGIKUTSBJBOU-VQHPVUNQSA-N	0	0	359.463	-0.084	40	0		FBABRN
O=C([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N(C1CCCCC1)C1CCCCC1	ZINC000004692140	483411776	/nfs/dbraw/zinc/41/17/76/483411776.db2.gz	PSXGIKUTSBJBOU-WCXIOVBPSA-N	0	0	359.463	-0.084	40	0		FBABRN
O=C([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N(C1CCCCC1)C1CCCCC1	ZINC000004692141	483412019	/nfs/dbraw/zinc/41/20/19/483412019.db2.gz	PSXGIKUTSBJBOU-NCOADZHNSA-N	0	0	359.463	-0.084	40	0		FBABRN
CCCCSc1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004705732	483411635	/nfs/dbraw/zinc/41/16/35/483411635.db2.gz	BIAKPVRPZJGWSJ-YTDXRRJTSA-N	0	0	355.420	-0.088	40	0		FBABRN
CCCCSc1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004705733	483411773	/nfs/dbraw/zinc/41/17/73/483411773.db2.gz	BIAKPVRPZJGWSJ-OJPPFWEXSA-N	0	0	355.420	-0.088	40	0		FBABRN
CCCCSc1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000004705734	483411968	/nfs/dbraw/zinc/41/19/68/483411968.db2.gz	BIAKPVRPZJGWSJ-DTITTZBUSA-N	0	0	355.420	-0.088	40	0		FBABRN
CCCCSc1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000004705735	483411535	/nfs/dbraw/zinc/41/15/35/483411535.db2.gz	BIAKPVRPZJGWSJ-ZLGIUQBVSA-N	0	0	355.420	-0.088	40	0		FBABRN
CC(C)CSc1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004720763	204157437	/nfs/dbraw/zinc/15/74/37/204157437.db2.gz	HSRODKZAAHKCPN-YTDXRRJTSA-N	0	0	355.420	-0.232	40	0		FBABRN
CC(C)CSc1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004720765	204157719	/nfs/dbraw/zinc/15/77/19/204157719.db2.gz	HSRODKZAAHKCPN-OJPPFWEXSA-N	0	0	355.420	-0.232	40	0		FBABRN
CC(C)CSc1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000004720766	483411563	/nfs/dbraw/zinc/41/15/63/483411563.db2.gz	HSRODKZAAHKCPN-DTITTZBUSA-N	0	0	355.420	-0.232	40	0		FBABRN
CC(C)CSc1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000004720767	219600603	/nfs/dbraw/zinc/60/06/03/219600603.db2.gz	HSRODKZAAHKCPN-ZLGIUQBVSA-N	0	0	355.420	-0.232	40	0		FBABRN
CC[C@@H](C)Sc1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004723123	207041587	/nfs/dbraw/zinc/04/15/87/207041587.db2.gz	KHYRAJQLUJBXMT-LGPZTAGJSA-N	0	0	355.420	-0.089	40	0		FBABRN
CC[C@H](C)Sc1nc(N)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004723124	207041767	/nfs/dbraw/zinc/04/17/67/207041767.db2.gz	KHYRAJQLUJBXMT-UQKNHXAOSA-N	0	0	355.420	-0.089	40	0		FBABRN
CC[C@@H](C)Sc1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004723125	207042496	/nfs/dbraw/zinc/04/24/96/207042496.db2.gz	KHYRAJQLUJBXMT-ACRKESDDSA-N	0	0	355.420	-0.089	40	0		FBABRN
CC[C@H](C)Sc1nc(N)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004723126	210557323	/nfs/dbraw/zinc/55/73/23/210557323.db2.gz	KHYRAJQLUJBXMT-RJCBHHLBSA-N	0	0	355.420	-0.089	40	0		FBABRN
O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCN(c2ncccn2)CC1	ZINC000004730980	132255189	/nfs/dbraw/zinc/25/51/89/132255189.db2.gz	CUFFNKJMVKGAEA-SDSIWUNFSA-N	0	0	367.409	-0.068	40	0		FBABRN
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)N1CCN(c2ncccn2)CC1	ZINC000004730981	132255003	/nfs/dbraw/zinc/25/50/03/132255003.db2.gz	CUFFNKJMVKGAEA-XRGAULLZSA-N	0	0	367.409	-0.068	40	0		FBABRN
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C(=O)[O-]	ZINC000004760528	483411706	/nfs/dbraw/zinc/41/17/06/483411706.db2.gz	IKSDHRKIGRSQFL-RYUDHWBXSA-N	0	0	358.439	-0.792	40	0		FBABRN
CC(C)C[C@@H](NC(=O)C[NH3+])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000004760536	207046733	/nfs/dbraw/zinc/04/67/33/207046733.db2.gz	IKSDHRKIGRSQFL-NEPJUHHUSA-N	0	0	358.439	-0.792	40	0		FBABRN
CC(C)C[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C(=O)[O-]	ZINC000004760542	483411828	/nfs/dbraw/zinc/41/18/28/483411828.db2.gz	IKSDHRKIGRSQFL-NWDGAFQWSA-N	0	0	358.439	-0.792	40	0		FBABRN
CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)C[NH3+])C(=O)[O-]	ZINC000004760551	207046829	/nfs/dbraw/zinc/04/68/29/207046829.db2.gz	IKSDHRKIGRSQFL-VXGBXAGGSA-N	0	0	358.439	-0.792	40	0		FBABRN
CCOC(=O)C1=C(C(=O)OCC)[C@@](O)(C(=O)OCC)[C@@H](C(=O)OCC)O1	ZINC000004792344	204164499	/nfs/dbraw/zinc/16/44/99/204164499.db2.gz	YPHAZRJBCPMECP-BZNIZROVSA-N	0	0	374.342	-0.377	40	0		FBABRN
CCOC(=O)C1=C(C(=O)OCC)[C@@](O)(C(=O)OCC)[C@H](C(=O)OCC)O1	ZINC000004792346	483411855	/nfs/dbraw/zinc/41/18/55/483411855.db2.gz	YPHAZRJBCPMECP-ZBEGNZNMSA-N	0	0	374.342	-0.377	40	0		FBABRN
CCOC(=O)C1=C(C(=O)OCC)[C@](O)(C(=O)OCC)[C@@H](C(=O)OCC)O1	ZINC000004792348	219606843	/nfs/dbraw/zinc/60/68/43/219606843.db2.gz	YPHAZRJBCPMECP-BDJLRTHQSA-N	0	0	374.342	-0.377	40	0		FBABRN
CCOC(=O)C1=C(C(=O)OCC)[C@](O)(C(=O)OCC)[C@H](C(=O)OCC)O1	ZINC000004792349	483411911	/nfs/dbraw/zinc/41/19/11/483411911.db2.gz	YPHAZRJBCPMECP-MEDUHNTESA-N	0	0	374.342	-0.377	40	0		FBABRN
CN1CCN(C(=O)OCCOCCOC(=O)N2CCN(C)CC2)CC1	ZINC000004803818	485311807	/nfs/dbraw/zinc/31/18/07/485311807.db2.gz	LPVLXIFZGFCKJU-UHFFFAOYSA-N	0	0	358.439	-0.229	40	0		FBABRN
CC(=O)OC[C@H]1O[C@@H](n2ccc3c2ncnc3N)[C@@H](O)[C@H]1OC(C)=O	ZINC000004830491	483412848	/nfs/dbraw/zinc/41/28/48/483412848.db2.gz	WCSSTZYHYXNWKG-OXJKWZBOSA-N	0	0	350.331	-0.233	40	0		FBABRN
CC(=O)OC[C@@H]1O[C@@H](n2ccc3c2ncnc3N)[C@@H](O)[C@H]1OC(C)=O	ZINC000004830492	204166953	/nfs/dbraw/zinc/16/69/53/204166953.db2.gz	WCSSTZYHYXNWKG-JUFZMCDQSA-N	0	0	350.331	-0.233	40	0		FBABRN
CC(=O)OC[C@@H]1O[C@@H](n2ccc3c2ncnc3N)[C@@H](O)[C@@H]1OC(C)=O	ZINC000004830493	204166508	/nfs/dbraw/zinc/16/65/08/204166508.db2.gz	WCSSTZYHYXNWKG-UUIJZJDISA-N	0	0	350.331	-0.233	40	0		FBABRN
COC(=O)Nc1nc2cc(C)c(C)cc2n1C[C@H](O)[C@H](O)[C@H](O)CO	ZINC000004830947	204166496	/nfs/dbraw/zinc/16/64/96/204166496.db2.gz	NSZAPDFIJRIASH-MJBXVCDLSA-N	0	0	353.375	-0.094	40	0		FBABRN
COC(=O)Nc1nc2cc(C)c(C)cc2n1C[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000004830948	207052906	/nfs/dbraw/zinc/05/29/06/207052906.db2.gz	NSZAPDFIJRIASH-MCIONIFRSA-N	0	0	353.375	-0.094	40	0		FBABRN
COC(=O)Nc1nc2cc(C)c(C)cc2n1C[C@H](O)[C@@H](O)[C@H](O)CO	ZINC000004830949	204166724	/nfs/dbraw/zinc/16/67/24/204166724.db2.gz	NSZAPDFIJRIASH-BFHYXJOUSA-N	0	0	353.375	-0.094	40	0		FBABRN
CCOC(=O)[C@H]1ON2O[C@@H](C(=O)OC)C[C@@]2(C(=O)OCC)[C@H]1CC(C)=O	ZINC000004834844	204168135	/nfs/dbraw/zinc/16/81/35/204168135.db2.gz	PBEXUCOCTXUUFC-BUWBCJGYSA-N	0	0	373.358	-0.061	40	0		FBABRN
CCOC(=O)[C@@H]1ON2O[C@@H](C(=O)OC)C[C@@]2(C(=O)OCC)[C@H]1CC(C)=O	ZINC000004834845	483716681	/nfs/dbraw/zinc/71/66/81/483716681.db2.gz	PBEXUCOCTXUUFC-LGSVPQMISA-N	0	0	373.358	-0.061	40	0		FBABRN
CCOC(=O)[C@H]1ON2O[C@@H](C(=O)OC)C[C@@]2(C(=O)OCC)[C@@H]1CC(C)=O	ZINC000004834847	483716446	/nfs/dbraw/zinc/71/64/46/483716446.db2.gz	PBEXUCOCTXUUFC-YMEQNVIZSA-N	0	0	373.358	-0.061	40	0		FBABRN
CCOC(=O)[C@@H]1ON2O[C@@H](C(=O)OC)C[C@@]2(C(=O)OCC)[C@@H]1CC(C)=O	ZINC000004834848	204168184	/nfs/dbraw/zinc/16/81/84/204168184.db2.gz	PBEXUCOCTXUUFC-QHSOUUPTSA-N	0	0	373.358	-0.061	40	0		FBABRN
CCN1C(=O)[C@H]2[C@H](c3ccccc3F)N[C@@](CO)(C(=O)OC)[C@@H]2C1=O	ZINC000004885102	219619528	/nfs/dbraw/zinc/61/95/28/219619528.db2.gz	JXSJQPJTLLOUGN-ZOPJHEKZSA-N	0	0	350.346	-0.005	40	0		FBABRN
CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](CO)(C(=O)OC)N[C@@H]2c1ccccc1F	ZINC000004885107	207058763	/nfs/dbraw/zinc/05/87/63/207058763.db2.gz	JXSJQPJTLLOUGN-IPJQOSJUSA-N	0	0	350.346	-0.005	40	0		FBABRN
CC(=O)OC[C@@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)C[C@H]1OC(C)=O	ZINC000004887467	207058659	/nfs/dbraw/zinc/05/86/59/207058659.db2.gz	QZGYRDUIRRZJHS-KXUCPTDWSA-N	0	0	351.319	-0.516	40	0		FBABRN
CC(=O)OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)C[C@@H]1OC(C)=O	ZINC000004887468	204172758	/nfs/dbraw/zinc/17/27/58/204172758.db2.gz	QZGYRDUIRRZJHS-IVZWLZJFSA-N	0	0	351.319	-0.516	40	0	in-vitro	FBABRN
CC(=O)OC[C@@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)C[C@@H]1OC(C)=O	ZINC000004887469	483413134	/nfs/dbraw/zinc/41/31/34/483413134.db2.gz	QZGYRDUIRRZJHS-LPEHRKFASA-N	0	0	351.319	-0.516	40	0		FBABRN
CO[C@H]1N([C@@H]2C[C@H](O)[C@H](CO)O2)C(=O)NC(=O)[C@]1(F)Br	ZINC000004896654	207059774	/nfs/dbraw/zinc/05/97/74/207059774.db2.gz	JXBABPBZPSKYSI-QLDOIRPZSA-N	0	0	357.132	-0.120	40	0		FBABRN
CO[C@@H]1N([C@@H]2C[C@H](O)[C@H](CO)O2)C(=O)NC(=O)[C@]1(F)Br	ZINC000004896655	483412780	/nfs/dbraw/zinc/41/27/80/483412780.db2.gz	JXBABPBZPSKYSI-AYBDFVJYSA-N	0	0	357.132	-0.120	40	0		FBABRN
CO[C@H]1N([C@@H]2C[C@H](O)[C@H](CO)O2)C(=O)NC(=O)[C@@]1(F)Br	ZINC000004896656	207060002	/nfs/dbraw/zinc/06/00/02/207060002.db2.gz	JXBABPBZPSKYSI-KYNFRCMISA-N	0	0	357.132	-0.120	40	0		FBABRN
CO[C@@H]1N([C@@H]2C[C@H](O)[C@H](CO)O2)C(=O)NC(=O)[C@@]1(F)Br	ZINC000004896657	207059739	/nfs/dbraw/zinc/05/97/39/207059739.db2.gz	JXBABPBZPSKYSI-OWXHTLTRSA-N	0	0	357.132	-0.120	40	0		FBABRN
CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000004899612	204174461	/nfs/dbraw/zinc/17/44/61/204174461.db2.gz	FMYLZGQFKPHXHI-GUBZILKMSA-N	0	0	351.494	-0.106	40	0		FBABRN
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-]	ZINC000004899792	204174505	/nfs/dbraw/zinc/17/45/05/204174505.db2.gz	STASJMBVVHNWCG-IHRRRGAJSA-N	0	0	365.434	-0.196	40	0		FBABRN
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-]	ZINC000004899795	204174120	/nfs/dbraw/zinc/17/41/20/204174120.db2.gz	LPGSNRSLPHRNBW-AVGNSLFASA-N	0	0	351.407	-0.586	40	0		FBABRN
CC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000004933707	210581269	/nfs/dbraw/zinc/58/12/69/210581269.db2.gz	YTIZHZPRFYKRIG-VZZFWQQMSA-N	0	0	369.330	-0.851	40	0		FBABRN
CC(=O)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000004933709	483413030	/nfs/dbraw/zinc/41/30/30/483413030.db2.gz	YTIZHZPRFYKRIG-DOERSZECSA-N	0	0	369.330	-0.851	40	0		FBABRN
OC[C@@H]1O[C@H](n2cc(Br)c3c2[nH]cnc3=NO)[C@H](O)[C@@H]1O	ZINC000004962534	483413701	/nfs/dbraw/zinc/41/37/01/483413701.db2.gz	VZHZLQSYTLUDQR-POYYFJLXSA-N	0	0	361.152	-0.394	40	0		FBABRN
OC[C@@H]1O[C@@H](n2cc(Br)c3c2[nH]cnc3=NO)[C@H](O)[C@@H]1O	ZINC000004962535	483413483	/nfs/dbraw/zinc/41/34/83/483413483.db2.gz	VZHZLQSYTLUDQR-TXRROPDSSA-N	0	0	361.152	-0.394	40	0		FBABRN
[NH3+][C@@H]1[C@H]2[C@@H]3C[C@H]4[N@H+](CC[C@]41C(=O)C(=O)[O-])CC3=CCO[C@H]2CC(=O)[O-]	ZINC000004962956	483413503	/nfs/dbraw/zinc/41/35/03/483413503.db2.gz	SAYFSSIFBPEQHK-MXGBFXNYSA-N	0	0	350.371	-0.522	40	0	in-vitro	FBABRN
CCOC(=O)CNC(=O)Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O	ZINC000004981749	209433428	/nfs/dbraw/zinc/43/34/28/209433428.db2.gz	OIDBNKSPGMLOIT-UHFFFAOYSA-N	0	0	374.332	-0.204	40	0		FBABRN
CN(C)c1ncnc2c1c(Br)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004991156	483413887	/nfs/dbraw/zinc/41/38/87/483413887.db2.gz	GXTRHWZNFVHJEP-YTDXRRJTSA-N	0	0	373.207	-0.129	40	0		FBABRN
CN(C)c1ncnc2c1c(Br)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004991157	204183639	/nfs/dbraw/zinc/18/36/39/204183639.db2.gz	GXTRHWZNFVHJEP-OJPPFWEXSA-N	0	0	373.207	-0.129	40	0		FBABRN
CN(C)c1ncnc2c1c(Br)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000004991158	207069661	/nfs/dbraw/zinc/06/96/61/207069661.db2.gz	GXTRHWZNFVHJEP-DTITTZBUSA-N	0	0	373.207	-0.129	40	0		FBABRN
CN(C)c1ncnc2c1c(Br)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000004991159	219635072	/nfs/dbraw/zinc/63/50/72/219635072.db2.gz	GXTRHWZNFVHJEP-ZLGIUQBVSA-N	0	0	373.207	-0.129	40	0		FBABRN
CNc1ncnc2c1c(Br)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004991160	207069765	/nfs/dbraw/zinc/06/97/65/207069765.db2.gz	JRADVRXGBGWSNP-YWZCALJYSA-N	0	0	359.180	-0.153	40	0		FBABRN
CNc1ncnc2c1c(Br)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004991161	483413966	/nfs/dbraw/zinc/41/39/66/483413966.db2.gz	JRADVRXGBGWSNP-YLJFRXORSA-N	0	0	359.180	-0.153	40	0		FBABRN
CNc1ncnc2c1c(Br)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000004991162	483414171	/nfs/dbraw/zinc/41/41/71/483414171.db2.gz	JRADVRXGBGWSNP-UKHPNBTGSA-N	0	0	359.180	-0.153	40	0		FBABRN
CC(C)(CCC(=O)N(CCO)CCO)CCC(=O)N(CCO)CCO	ZINC000005008357	206186654	/nfs/dbraw/zinc/18/66/54/206186654.db2.gz	GDQGKCKJQIFDHT-UHFFFAOYSA-N	0	0	362.467	-0.801	40	0		FBABRN
COc1ccc(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)cc1OC	ZINC000005014634	204184459	/nfs/dbraw/zinc/18/44/59/204184459.db2.gz	HVWWOTDKTUZKIN-BIVLZKPYSA-N	0	0	371.386	-0.836	40	0		FBABRN
COc1ccc(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)cc1OC	ZINC000005014638	483747734	/nfs/dbraw/zinc/74/77/34/483747734.db2.gz	HVWWOTDKTUZKIN-KSWRQPAISA-N	0	0	371.386	-0.836	40	0		FBABRN
COc1ccc(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1OC	ZINC000005014641	204185322	/nfs/dbraw/zinc/18/53/22/204185322.db2.gz	HVWWOTDKTUZKIN-UTSKFRMZSA-N	0	0	371.386	-0.836	40	0		FBABRN
COc1ccc(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)cc1OC	ZINC000005014651	210591760	/nfs/dbraw/zinc/59/17/60/210591760.db2.gz	HVWWOTDKTUZKIN-SIRPWMCASA-N	0	0	371.386	-0.836	40	0		FBABRN
CCOC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1	ZINC000005014784	204184818	/nfs/dbraw/zinc/18/48/18/204184818.db2.gz	XNGUWXXXEMYFMM-UHFFFAOYSA-N	0	0	351.359	-0.292	40	0		FBABRN
O=C(OCCNC(=O)N1CCOCC1)OCCNC(=O)N1CCOCC1	ZINC000005022009	204185220	/nfs/dbraw/zinc/18/52/20/204185220.db2.gz	XBVNCWKTEZLPSU-UHFFFAOYSA-N	0	0	374.394	-0.777	40	0		FBABRN
COc1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC	ZINC000005055882	483414098	/nfs/dbraw/zinc/41/40/98/483414098.db2.gz	KVCFVMUSQMYWCP-UHFFFAOYSA-N	0	0	355.372	-0.098	40	0		FBABRN
Cc1nnc(-c2cn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c3ncnc(N)c23)nc1C	ZINC000005105279	483413668	/nfs/dbraw/zinc/41/36/68/483413668.db2.gz	RXYSEUAROHHIAB-YVYGNJPRSA-N	0	0	373.373	-0.906	40	0		FBABRN
Cc1nnc(-c2cn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c3ncnc(N)c23)nc1C	ZINC000005105280	483413547	/nfs/dbraw/zinc/41/35/47/483413547.db2.gz	RXYSEUAROHHIAB-OBOQGBEESA-N	0	0	373.373	-0.906	40	0		FBABRN
Cc1nnc(-c2cn([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c3ncnc(N)c23)nc1C	ZINC000005105281	483413652	/nfs/dbraw/zinc/41/36/52/483413652.db2.gz	RXYSEUAROHHIAB-QMABLASFSA-N	0	0	373.373	-0.906	40	0		FBABRN
Cc1nnc(-c2cn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c3ncnc(N)c23)nc1C	ZINC000005105282	207080085	/nfs/dbraw/zinc/08/00/85/207080085.db2.gz	RXYSEUAROHHIAB-HMECCHRJSA-N	0	0	373.373	-0.906	40	0		FBABRN
COc1ccc(-c2nc3c(ncn3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(N)n2)cc1	ZINC000005141253	483413497	/nfs/dbraw/zinc/41/34/97/483413497.db2.gz	VKSRAKNPXOTFAX-VDXNLZSASA-N	0	0	373.369	-0.304	40	0	in-vitro	FBABRN
COc1ccc(-c2nc3c(ncn3[C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(N)n2)cc1	ZINC000005141255	219654657	/nfs/dbraw/zinc/65/46/57/219654657.db2.gz	VKSRAKNPXOTFAX-BMGIQWSVSA-N	0	0	373.369	-0.304	40	0	in-vitro	FBABRN
COc1ccc(-c2nc3c(ncn3[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c(N)n2)cc1	ZINC000005141256	204194514	/nfs/dbraw/zinc/19/45/14/204194514.db2.gz	VKSRAKNPXOTFAX-YRZLHWLASA-N	0	0	373.369	-0.304	40	0	in-vitro	FBABRN
Cc1c(C)n2c(nc3c2c(=O)n(CC(N)=O)c(=O)n3C)n1C[C@@H]1CCCO1	ZINC000005144706	204194928	/nfs/dbraw/zinc/19/49/28/204194928.db2.gz	ZUXGUVIILUMJIJ-NSHDSACASA-N	0	0	374.401	-0.569	40	0		FBABRN
Cc1c(C)n2c(nc3c2c(=O)n(CC(N)=O)c(=O)n3C)n1C[C@H]1CCCO1	ZINC000005144707	204194896	/nfs/dbraw/zinc/19/48/96/204194896.db2.gz	ZUXGUVIILUMJIJ-LLVKDONJSA-N	0	0	374.401	-0.569	40	0		FBABRN
CO[C@@H]1O[C@H]2COc3ccccc3O[C@@H]2[C@@H](NC(N)=N[N+](=O)[O-])[C@H]1O	ZINC000005181787	483414743	/nfs/dbraw/zinc/41/47/43/483414743.db2.gz	ZYGSWSNTVJJTQY-IEECTRCBSA-N	0	0	354.319	-0.767	40	0		FBABRN
CC(=O)OC[C@H]1O[C@@H](N2C(=O)C=CC2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005208808	207087591	/nfs/dbraw/zinc/08/75/91/207087591.db2.gz	QBLWQLZBDIMNGG-SDJAHQOYSA-N	0	0	355.299	-0.937	40	0		FBABRN
CC(=O)OC[C@@H]1O[C@@H](N2C(=O)C=CC2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005208809	207087748	/nfs/dbraw/zinc/08/77/48/207087748.db2.gz	QBLWQLZBDIMNGG-FBUXBERBSA-N	0	0	355.299	-0.937	40	0		FBABRN
CC(=O)OC[C@@H]1O[C@@H](N2C(=O)C=CC2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005208810	207087321	/nfs/dbraw/zinc/08/73/21/207087321.db2.gz	QBLWQLZBDIMNGG-OADPDTJPSA-N	0	0	355.299	-0.937	40	0		FBABRN
Nc1ncnc2c1nc(N1CCCCC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000005337341	484158024	/nfs/dbraw/zinc/15/80/24/484158024.db2.gz	CNYYZAAPULRJDG-AGSIJNCFSA-N	0	0	350.379	-0.990	40	0		FBABRN
Nc1ncnc2c1nc(N1CCCCC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000005337346	263340324	/nfs/dbraw/zinc/34/03/24/263340324.db2.gz	CNYYZAAPULRJDG-ZMZKGCHWSA-N	0	0	350.379	-0.990	40	0		FBABRN
Nc1ncnc2c1nc(N1CCCCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000005337348	263340347	/nfs/dbraw/zinc/34/03/47/263340347.db2.gz	CNYYZAAPULRJDG-CYFJXOGMSA-N	0	0	350.379	-0.990	40	0		FBABRN
Nc1ncnc2c1nc(N1CCCCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000005337350	206194353	/nfs/dbraw/zinc/19/43/53/206194353.db2.gz	CNYYZAAPULRJDG-WQURNTSKSA-N	0	0	350.379	-0.990	40	0		FBABRN
COC(OC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O	ZINC000005339372	207094138	/nfs/dbraw/zinc/09/41/38/207094138.db2.gz	QINJELNMARFCNH-IHRRRGAJSA-N	0	0	364.347	-0.037	40	0		FBABRN
COC(OC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	ZINC000005339374	483415042	/nfs/dbraw/zinc/41/50/42/483415042.db2.gz	QINJELNMARFCNH-RDBSUJKOSA-N	0	0	364.347	-0.037	40	0		FBABRN
COC(OC)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O	ZINC000005339377	207094009	/nfs/dbraw/zinc/09/40/09/207094009.db2.gz	QINJELNMARFCNH-MJBXVCDLSA-N	0	0	364.347	-0.037	40	0		FBABRN
COC(OC)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	ZINC000005339382	207094019	/nfs/dbraw/zinc/09/40/19/207094019.db2.gz	QINJELNMARFCNH-MCIONIFRSA-N	0	0	364.347	-0.037	40	0		FBABRN
CCCC[S@@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O	ZINC000005368453	207097597	/nfs/dbraw/zinc/09/75/97/207097597.db2.gz	VTHCVIXENYOZQB-JNDCGWKKSA-N	0	0	357.432	-0.589	40	0		FBABRN
CCCC[S@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O	ZINC000005368454	204205546	/nfs/dbraw/zinc/20/55/46/204205546.db2.gz	VTHCVIXENYOZQB-TXGHASDRSA-N	0	0	357.432	-0.589	40	0		FBABRN
CCOC(=O)C1=NN2[C@H](O)[C@]3(C)CC(C(=O)OCC)=NN3[C@H](O)[C@]2(C)C1	ZINC000005374317	207097542	/nfs/dbraw/zinc/09/75/42/207097542.db2.gz	DGBPJSJWNZQGQU-WCVJEAGWSA-N	0	0	368.390	-0.596	40	0		FBABRN
CCOC(=O)C1=NN2[C@@H](O)[C@]3(C)CC(C(=O)OCC)=NN3[C@H](O)[C@]2(C)C1	ZINC000005374319	204205759	/nfs/dbraw/zinc/20/57/59/204205759.db2.gz	DGBPJSJWNZQGQU-FZKCQIBNSA-N	0	0	368.390	-0.596	40	0		FBABRN
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(Nc2ccccc2)n1	ZINC000005392847	207098251	/nfs/dbraw/zinc/09/82/51/207098251.db2.gz	LEWFGSPJXBHOOO-NFOTXUCKSA-N	0	0	358.358	-0.236	40	0		FBABRN
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(Nc2ccccc2)n1	ZINC000005392848	207098755	/nfs/dbraw/zinc/09/87/55/207098755.db2.gz	LEWFGSPJXBHOOO-AYIJCJCZSA-N	0	0	358.358	-0.236	40	0		FBABRN
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(Nc2ccccc2)n1	ZINC000005392849	210618101	/nfs/dbraw/zinc/61/81/01/210618101.db2.gz	LEWFGSPJXBHOOO-LIBKGXAOSA-N	0	0	358.358	-0.236	40	0		FBABRN
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(Nc2ccccc2)n1	ZINC000005392850	483415179	/nfs/dbraw/zinc/41/51/79/483415179.db2.gz	LEWFGSPJXBHOOO-XDYICZGBSA-N	0	0	358.358	-0.236	40	0		FBABRN
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(N2CCCCC2)n1	ZINC000005395602	132828237	/nfs/dbraw/zinc/82/82/37/132828237.db2.gz	BQEKAKXZPCUFRG-AGSIJNCFSA-N	0	0	350.379	-0.990	40	0		FBABRN
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(N2CCCCC2)n1	ZINC000005395603	483414508	/nfs/dbraw/zinc/41/45/08/483414508.db2.gz	BQEKAKXZPCUFRG-CYFJXOGMSA-N	0	0	350.379	-0.990	40	0		FBABRN
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(N2CCCCC2)n1	ZINC000005395604	483414970	/nfs/dbraw/zinc/41/49/70/483414970.db2.gz	BQEKAKXZPCUFRG-ZMZKGCHWSA-N	0	0	350.379	-0.990	40	0		FBABRN
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(N2CCCCC2)n1	ZINC000005395605	483414823	/nfs/dbraw/zinc/41/48/23/483414823.db2.gz	BQEKAKXZPCUFRG-WQURNTSKSA-N	0	0	350.379	-0.990	40	0		FBABRN
NC(=O)CN1C(=O)[C@@H]2CN(C(=O)CSc3ccncc3)CCN2C1=O	ZINC000005397153	484136934	/nfs/dbraw/zinc/13/69/34/484136934.db2.gz	SRLUHADZLHKJPX-NSHDSACASA-N	0	0	363.399	-0.866	40	0	biogenic,in-vitro	FBABRN
COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN1C(C)=O	ZINC000005397666	219676342	/nfs/dbraw/zinc/67/63/42/219676342.db2.gz	WWBMWNZXSUFZEH-BXUZGUMPSA-N	0	0	362.386	-0.568	40	0	biogenic,in-vitro	FBABRN
O=C1[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN2C(=O)N1CCO	ZINC000005415788	484139386	/nfs/dbraw/zinc/13/93/86/484139386.db2.gz	PADDISCLOQMAHM-GFCCVEGCSA-N	0	0	357.363	-0.545	40	0	biogenic,in-vitro	FBABRN
CC(=O)OC[C@H]1O[C@@H](n2cccnc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005496509	483416036	/nfs/dbraw/zinc/41/60/36/483416036.db2.gz	GZIISKHKBQTYKY-ZOBORPQBSA-N	0	0	354.315	-0.433	40	0		FBABRN
CC(=O)OC[C@@H]1O[C@@H](n2cccnc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005496510	483416053	/nfs/dbraw/zinc/41/60/53/483416053.db2.gz	GZIISKHKBQTYKY-XDQVBPFNSA-N	0	0	354.315	-0.433	40	0		FBABRN
CC(=O)OC[C@H]1O[C@@H](n2cccnc2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005496511	483415778	/nfs/dbraw/zinc/41/57/78/483415778.db2.gz	GZIISKHKBQTYKY-YIYPIFLZSA-N	0	0	354.315	-0.433	40	0		FBABRN
CC(=O)OC[C@@H]1O[C@@H](n2cccnc2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005496513	483415829	/nfs/dbraw/zinc/41/58/29/483415829.db2.gz	GZIISKHKBQTYKY-RFQIPJPRSA-N	0	0	354.315	-0.433	40	0		FBABRN
C/C(Cl)=C/CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000005502594	219684778	/nfs/dbraw/zinc/68/47/78/219684778.db2.gz	OIBGKMMIUNVDRK-VJIZMPGASA-N	0	0	355.782	-0.008	40	0		FBABRN
C/C(Cl)=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000005502596	204212432	/nfs/dbraw/zinc/21/24/32/204212432.db2.gz	OIBGKMMIUNVDRK-FLPIWCMBSA-N	0	0	355.782	-0.008	40	0		FBABRN
Cn1ccnc1SC(C(=O)N1CCOCC1)C(=O)N1CCOCC1	ZINC000005530513	483415895	/nfs/dbraw/zinc/41/58/95/483415895.db2.gz	SNZGUFAXPUZGGG-UHFFFAOYSA-N	0	0	354.432	-0.402	40	0		FBABRN
CCOC(=O)/C=C(\C(=O)OCC)n1ccc(=O)n(CC(=O)OCC)c1=O	ZINC000005541443	219687558	/nfs/dbraw/zinc/68/75/58/219687558.db2.gz	RPACIQPWGRDKMR-PKNBQFBNSA-N	0	0	368.342	-0.460	40	0		FBABRN
CCOC(=O)/C=C(/C(=O)OCC)n1ccc(=O)n(CC(=O)OCC)c1=O	ZINC000005541445	483415924	/nfs/dbraw/zinc/41/59/24/483415924.db2.gz	RPACIQPWGRDKMR-LUAWRHEFSA-N	0	0	368.342	-0.460	40	0		FBABRN
COc1ccc(-n2cnc3c(cnn3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2=O)cc1	ZINC000005552077	204215046	/nfs/dbraw/zinc/21/50/46/204215046.db2.gz	BWXVEGRAPMFATF-CFAJVAMVSA-N	0	0	374.353	-0.798	40	0		FBABRN
COc1ccc(-n2cnc3c(cnn3[C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2=O)cc1	ZINC000005552082	207104799	/nfs/dbraw/zinc/10/47/99/207104799.db2.gz	BWXVEGRAPMFATF-ZOMKSWQUSA-N	0	0	374.353	-0.798	40	0		FBABRN
COc1ccc(-n2cnc3c(cnn3[C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2=O)cc1	ZINC000005552085	483416066	/nfs/dbraw/zinc/41/60/66/483416066.db2.gz	BWXVEGRAPMFATF-LOUJCGABSA-N	0	0	374.353	-0.798	40	0		FBABRN
COc1ccc(-n2cnc3c(cnn3[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2=O)cc1	ZINC000005552087	204214438	/nfs/dbraw/zinc/21/44/38/204214438.db2.gz	BWXVEGRAPMFATF-QDEZUTFSSA-N	0	0	374.353	-0.798	40	0		FBABRN
COC(=O)C1=C2C=CC=CN2[C@H](C(=O)OC)C(C(=O)OC)=C1C(=O)OC	ZINC000005606782	263342394	/nfs/dbraw/zinc/34/23/94/263342394.db2.gz	JXDYWRXGPXTCKX-ZDUSSCGKSA-N	0	0	363.322	-0.003	40	0		FBABRN
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OCO[C@@H]2COCO[C@@H]21	ZINC000005664078	483415940	/nfs/dbraw/zinc/41/59/40/483415940.db2.gz	KFYMILXCUBUEOH-QTVXIADOSA-N	0	0	362.331	-0.473	40	0		FBABRN
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OCO[C@@H]2COCO[C@@H]21	ZINC000005664252	483416031	/nfs/dbraw/zinc/41/60/31/483416031.db2.gz	KFYMILXCUBUEOH-MRLBHPIUSA-N	0	0	362.331	-0.473	40	0		FBABRN
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OCO[C@@H]2COCO[C@@H]21	ZINC000005664257	483415989	/nfs/dbraw/zinc/41/59/89/483415989.db2.gz	KFYMILXCUBUEOH-QMIVOQANSA-N	0	0	362.331	-0.473	40	0		FBABRN
CC(=O)OC[C@H]1O[C@@H](n2ccc(O)cc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005665311	483415733	/nfs/dbraw/zinc/41/57/33/483415733.db2.gz	OPKHSBWVLDNFHU-SYAUCNOPSA-N	0	0	369.326	-0.122	40	0		FBABRN
CC(=O)OC[C@@H]1O[C@@H](n2ccc(O)cc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000005665312	207110360	/nfs/dbraw/zinc/11/03/60/207110360.db2.gz	OPKHSBWVLDNFHU-QCEMKRCNSA-N	0	0	369.326	-0.122	40	0		FBABRN
CC(=O)OC[C@H]1O[C@@H](n2ccc(O)cc2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005665313	207110300	/nfs/dbraw/zinc/11/03/00/207110300.db2.gz	OPKHSBWVLDNFHU-DMRZNYOFSA-N	0	0	369.326	-0.122	40	0		FBABRN
CC(=O)OC[C@@H]1O[C@@H](n2ccc(O)cc2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000005665314	210635207	/nfs/dbraw/zinc/63/52/07/210635207.db2.gz	OPKHSBWVLDNFHU-DRPJVOAASA-N	0	0	369.326	-0.122	40	0		FBABRN
CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000005707432	204222570	/nfs/dbraw/zinc/22/25/70/204222570.db2.gz	OBFAKPCKIZBPFT-UONOGXRCSA-N	0	0	363.418	-0.434	40	0		FBABRN
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000005707434	207113140	/nfs/dbraw/zinc/11/31/40/207113140.db2.gz	OBFAKPCKIZBPFT-KBPBESRZSA-N	0	0	363.418	-0.434	40	0		FBABRN
O=COC[C@@H]1O[C@H](OC=O)[C@H](Nc2ccccc2)[C@H](OC=O)[C@@H]1OC=O	ZINC000005800091	204225940	/nfs/dbraw/zinc/22/59/40/204225940.db2.gz	MIWNGHGCKIBEFD-OTJKEOIZSA-N	0	0	367.310	-0.379	40	0		FBABRN
O=COC[C@@H]1O[C@H](OC=O)[C@H](Nc2ccccc2)[C@@H](OC=O)[C@@H]1OC=O	ZINC000005800092	207118057	/nfs/dbraw/zinc/11/80/57/207118057.db2.gz	MIWNGHGCKIBEFD-GCSSGZNBSA-N	0	0	367.310	-0.379	40	0		FBABRN
COc1nc(SC)nc2c1cnn2[C@H]1O[C@@H]([C@H](O)CO)[C@@H](OC)[C@H]1O	ZINC000005810048	207118032	/nfs/dbraw/zinc/11/80/32/207118032.db2.gz	ZDKDXBYCVFDSPK-NKGMTQDZSA-N	0	0	372.403	-0.817	40	0		FBABRN
COc1nc(SC)nc2c1cnn2[C@@H]1O[C@@H]([C@H](O)CO)[C@@H](OC)[C@H]1O	ZINC000005810049	210642815	/nfs/dbraw/zinc/64/28/15/210642815.db2.gz	ZDKDXBYCVFDSPK-JJKYCLHCSA-N	0	0	372.403	-0.817	40	0		FBABRN
COc1nc(SC)nc2c1cnn2[C@H]1O[C@@H]([C@H](O)CO)[C@@H](OC)[C@@H]1O	ZINC000005810051	483417121	/nfs/dbraw/zinc/41/71/21/483417121.db2.gz	ZDKDXBYCVFDSPK-VQAIZDJRSA-N	0	0	372.403	-0.817	40	0		FBABRN
COc1nc(SC)nc2c1cnn2[C@@H]1O[C@@H]([C@H](O)CO)[C@@H](OC)[C@@H]1O	ZINC000005810053	207117710	/nfs/dbraw/zinc/11/77/10/207117710.db2.gz	ZDKDXBYCVFDSPK-STDGDXHASA-N	0	0	372.403	-0.817	40	0		FBABRN
CCOC(=O)CN1CC(=C2C(=O)CN(CC(=O)OCC)C2=O)CC1=O	ZINC000005828967	210642974	/nfs/dbraw/zinc/64/29/74/210642974.db2.gz	AOLFTJBMUXRGGK-UHFFFAOYSA-N	0	0	352.343	-0.465	40	0		FBABRN
CCOC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CC(=O)[O-]	ZINC000005829056	204227242	/nfs/dbraw/zinc/22/72/42/204227242.db2.gz	LIHWOYDKVVINNO-CHWSQXEVSA-N	0	0	365.386	-0.805	40	0		FBABRN
CCOC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(=O)[O-]	ZINC000005829059	207119157	/nfs/dbraw/zinc/11/91/57/207119157.db2.gz	LIHWOYDKVVINNO-QWHCGFSZSA-N	0	0	365.386	-0.805	40	0		FBABRN
CCOC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CC(=O)[O-]	ZINC000005829076	219701078	/nfs/dbraw/zinc/70/10/78/219701078.db2.gz	LIHWOYDKVVINNO-OLZOCXBDSA-N	0	0	365.386	-0.805	40	0		FBABRN
CCOC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(=O)[O-]	ZINC000005829078	483416850	/nfs/dbraw/zinc/41/68/50/483416850.db2.gz	LIHWOYDKVVINNO-STQMWFEESA-N	0	0	365.386	-0.805	40	0		FBABRN
COC(=O)C1=C(C(=O)OC)C(C)(C(=O)OC)C(C(=O)OC)=C1C(=O)OC	ZINC000006263390	484061024	/nfs/dbraw/zinc/06/10/24/484061024.db2.gz	GQFYNSUBULZEJM-UHFFFAOYSA-N	0	0	370.310	-0.536	40	0		FBABRN
COC(=O)C1=C2C=CC=CN2[C@@H](C(=O)OC)C(C(=O)OC)=C1C(=O)OC	ZINC000006384998	485180386	/nfs/dbraw/zinc/18/03/86/485180386.db2.gz	JXDYWRXGPXTCKX-CYBMUJFWSA-N	0	0	363.322	-0.003	40	0		FBABRN
CCS(=O)(=O)CCCNC(=O)CCC(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000006933772	207178788	/nfs/dbraw/zinc/17/87/88/207178788.db2.gz	DHCBSSSAFNILMC-LLVKDONJSA-N	0	0	368.477	-0.989	40	0		FBABRN
CCS(=O)(=O)CCCNC(=O)CCC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000006933773	219783285	/nfs/dbraw/zinc/78/32/85/219783285.db2.gz	DHCBSSSAFNILMC-NSHDSACASA-N	0	0	368.477	-0.989	40	0		FBABRN
COc1cc(CNn2nnnc2N)cc(Br)c1OCC(N)=O	ZINC000007601873	484365722	/nfs/dbraw/zinc/36/57/22/484365722.db2.gz	LTWWDRFBJKVMAY-UHFFFAOYSA-N	0	0	372.183	-0.366	40	0		FBABRN
C[C@H](NC(=O)C=Cc1ccco1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000008076268	219844238	/nfs/dbraw/zinc/84/42/38/219844238.db2.gz	KVMXOYCJJRUPKZ-RIVSHMCHSA-N	0	0	365.390	-0.370	40	0		FBABRN
COc1ccc(S(=O)(=O)NCC(=O)N2CCC(C(N)=O)CC2)cc1	ZINC000008158084	483426812	/nfs/dbraw/zinc/42/68/12/483426812.db2.gz	GHHWCCPFTFVKLP-UHFFFAOYSA-N	0	0	355.416	-0.303	40	0		FBABRN
CNS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1OC	ZINC000008476061	483428294	/nfs/dbraw/zinc/42/82/94/483428294.db2.gz	JVPDANZWIRSLPP-UHFFFAOYSA-N	0	0	355.416	-0.059	40	0		FBABRN
COc1cc(C(C)=O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O	ZINC000008555489	204333407	/nfs/dbraw/zinc/33/34/07/204333407.db2.gz	WBZPZQHNUOYGIO-BIVLZKPYSA-N	0	0	369.370	-0.780	40	0		FBABRN
COc1cc(C(C)=O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	ZINC000008555494	204334071	/nfs/dbraw/zinc/33/40/71/204334071.db2.gz	WBZPZQHNUOYGIO-KSWRQPAISA-N	0	0	369.370	-0.780	40	0		FBABRN
COc1cc(C(C)=O)ccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1NC(C)=O	ZINC000008555498	483869906	/nfs/dbraw/zinc/86/99/06/483869906.db2.gz	WBZPZQHNUOYGIO-JZAWBGDQSA-N	0	0	369.370	-0.780	40	0		FBABRN
COc1cc(C(C)=O)ccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O	ZINC000008555502	204333094	/nfs/dbraw/zinc/33/30/94/204333094.db2.gz	WBZPZQHNUOYGIO-ZOFXXKQRSA-N	0	0	369.370	-0.780	40	0		FBABRN
CC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1O	ZINC000008624256	206216453	/nfs/dbraw/zinc/21/64/53/206216453.db2.gz	GCSIXLIQYXQUJE-LQKXBSAESA-N	0	0	354.378	-0.041	40	0	biogenic,in-vitro	FBABRN
CC(C)NC(=O)C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O	ZINC000008624263	209471951	/nfs/dbraw/zinc/47/19/51/209471951.db2.gz	GCEXBUBBNWBTQP-LQKXBSAESA-N	0	0	372.443	-0.631	40	0	biogenic,in-vitro	FBABRN
O=C(C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O)N1CCc2ccccc21	ZINC000008624300	485059868	/nfs/dbraw/zinc/05/98/68/485059868.db2.gz	DFBQFMDVOBAVCL-CIRFHOKZSA-N	0	0	360.410	-0.019	40	0	biogenic,in-vitro	FBABRN
COCC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCc3ccccc32)[C@H](O)[C@@H]1O	ZINC000008624303	485059636	/nfs/dbraw/zinc/05/96/36/485059636.db2.gz	HWOPGMILSCWRMR-IHETXDGRSA-N	0	0	364.398	-0.782	40	0	biogenic,in-vitro	FBABRN
COC[C@H]1CCCN1C(=O)C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O	ZINC000008624375	485059629	/nfs/dbraw/zinc/05/96/29/485059629.db2.gz	PRLFRVMPOKICTG-HDNYOTOHSA-N	0	0	356.419	-0.971	40	0	biogenic,in-vitro	FBABRN
COC[C@H]1CCCN1C(=O)C[C@@H]1O[C@H](CNC(=O)NC(C)C)[C@@H](O)[C@H]1O	ZINC000008624389	206216128	/nfs/dbraw/zinc/21/61/28/206216128.db2.gz	SQEJJTOBHJFEPP-HDNYOTOHSA-N	0	0	373.450	-0.789	40	0	biogenic,in-vitro	FBABRN
O=C(C[C@@H]1O[C@H](CNC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1O)NC1CC1	ZINC000008624414	485059106	/nfs/dbraw/zinc/05/91/06/485059106.db2.gz	ZRIQMRZIJFYXMM-LQKXBSAESA-N	0	0	352.362	-0.287	40	0	biogenic,in-vitro	FBABRN
COCCNC(=O)C[C@@H]1O[C@H](CNC(=O)NC2CCCCC2)[C@@H](O)[C@H]1O	ZINC000008624488	485059721	/nfs/dbraw/zinc/05/97/21/485059721.db2.gz	JSDCNHJGWDCTBB-LQKXBSAESA-N	0	0	373.450	-0.740	40	0	biogenic,in-vitro	FBABRN
COCCNC(=O)C[C@@H]1O[C@H](CNC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O	ZINC000008624491	219865367	/nfs/dbraw/zinc/86/53/67/219865367.db2.gz	KGAGCANDFMYURR-LQKXBSAESA-N	0	0	367.402	-0.550	40	0	biogenic,in-vitro	FBABRN
COCC(=O)NC[C@H]1O[C@@H](CC(=O)NCc2ccc(F)cc2)[C@H](O)[C@@H]1O	ZINC000008624492	206216630	/nfs/dbraw/zinc/21/66/30/206216630.db2.gz	NNAZAPHGJCVXEM-UWWPHRKUSA-N	0	0	370.377	-0.916	40	0	biogenic,in-vitro	FBABRN
COc1ccc(CNC(=O)C[C@@H]2O[C@H](CNC(C)=O)[C@@H](O)[C@H]2O)cc1	ZINC000008624495	485059839	/nfs/dbraw/zinc/05/98/39/485059839.db2.gz	ZHOAWKHELVNVBB-HDEZJCGLSA-N	0	0	352.387	-0.673	40	0	biogenic,in-vitro	FBABRN
COCCNC(=O)C[C@@H]1O[C@H](CNC(=O)c2cccc(F)c2)[C@@H](O)[C@H]1O	ZINC000008624584	485059121	/nfs/dbraw/zinc/05/91/21/485059121.db2.gz	RMBNVWSGQBGLKM-LQKXBSAESA-N	0	0	370.377	-0.803	40	0	biogenic,in-vitro	FBABRN
CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCc2cccnc2)[C@H](O)[C@@H]1O	ZINC000008627183	485059226	/nfs/dbraw/zinc/05/92/26/485059226.db2.gz	WVSODEDRNFPRHT-LQKXBSAESA-N	0	0	366.418	-0.715	40	0	biogenic,in-vitro	FBABRN
CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCC(C)CC2)[C@H](O)[C@@H]1O	ZINC000008643484	206215713	/nfs/dbraw/zinc/21/57/13/206215713.db2.gz	BQXXOCZDLXOAGH-LQKXBSAESA-N	0	0	357.451	-0.168	40	0	biogenic,in-vitro	FBABRN
COCCNC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccc(F)cc2)[C@@H](O)[C@H]1O	ZINC000008643629	485059724	/nfs/dbraw/zinc/05/97/24/485059724.db2.gz	CPCJBQXIIMAYQH-HDEZJCGLSA-N	0	0	356.394	-0.443	40	0	biogenic,in-vitro	FBABRN
COCC(=O)NC[C@H]1O[C@@H](CC(=O)N(C)Cc2ccccc2)[C@H](O)[C@@H]1O	ZINC000008643651	485059660	/nfs/dbraw/zinc/05/96/60/485059660.db2.gz	RFSCBMVRGOCGLT-IHETXDGRSA-N	0	0	366.414	-0.713	40	0	biogenic,in-vitro	FBABRN
O=c1[nH]cnc2c1nc(NCc1ccccc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000009209178	484682877	/nfs/dbraw/zinc/68/28/77/484682877.db2.gz	MVFAUQAGTQMVFP-MZXFEWSRSA-N	0	0	373.369	-0.657	40	0		FBABRN
Cc1cc(=O)n2c(n1)NC(N1CCN(CCO)CC1)=N[C@@H]2c1cccnc1	ZINC000009265111	484384367	/nfs/dbraw/zinc/38/43/67/484384367.db2.gz	ZBNTZGBDWANWEZ-INIZCTEOSA-N	0	0	369.429	-0.115	40	0		FBABRN
Cc1cc(=O)n2c(n1)NC(N1CCN(CCO)CC1)=N[C@H]2c1cccnc1	ZINC000009265113	484383665	/nfs/dbraw/zinc/38/36/65/484383665.db2.gz	ZBNTZGBDWANWEZ-MRXNPFEDSA-N	0	0	369.429	-0.115	40	0		FBABRN
COc1cccc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c1	ZINC000010283467	484398642	/nfs/dbraw/zinc/39/86/42/484398642.db2.gz	CFEZBLFTXMVYPA-UHFFFAOYSA-N	0	0	355.416	-0.238	40	0		FBABRN
CS(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc2c(c1)OCO2	ZINC000010284222	484406331	/nfs/dbraw/zinc/40/63/31/484406331.db2.gz	LOKOOWVHRQVNTH-UHFFFAOYSA-N	0	0	369.399	-0.518	40	0		FBABRN
C[C@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@@H]12	ZINC000011615955	483893503	/nfs/dbraw/zinc/89/35/03/483893503.db2.gz	MRMBZHPJVKCOMA-IFFSRLJSSA-O	0	0	351.408	-0.560	40	0		FBABRN
Cc1ccc(Nc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000012082296	484783255	/nfs/dbraw/zinc/78/32/55/484783255.db2.gz	OBUBJKZOBHJFEY-YGSHXTJESA-N	0	0	373.369	-0.217	40	0		FBABRN
Cn1c2ccccc2n2c(=O)n(CC(=O)N3CCNC(=O)C3(C)C)nc12	ZINC000012117779	483452963	/nfs/dbraw/zinc/45/29/63/483452963.db2.gz	RNWNBLBCCSWGNS-UHFFFAOYSA-N	0	0	356.386	-0.275	40	0		FBABRN
CS(=O)(=O)c1cncnc1[C@@H]1CCCN(CC(=O)N2CCOCC2)C1	ZINC000012128274	207341179	/nfs/dbraw/zinc/34/11/79/207341179.db2.gz	WIPWZVNVXFTFEN-CYBMUJFWSA-N	0	0	368.459	-0.082	40	0		FBABRN
CS(=O)(=O)c1cncnc1[C@H]1CCCN(CC(=O)N2CCOCC2)C1	ZINC000012128278	483452977	/nfs/dbraw/zinc/45/29/77/483452977.db2.gz	WIPWZVNVXFTFEN-ZDUSSCGKSA-N	0	0	368.459	-0.082	40	0		FBABRN
CCn1cc([C@@H]2C[C@@H](C(=O)NC(C)(C)CO)N(C)S(=O)(=O)N2)c(C)n1	ZINC000012130765	483452478	/nfs/dbraw/zinc/45/24/78/483452478.db2.gz	YUMXRICPFPZGEE-STQMWFEESA-N	0	0	373.479	-0.322	40	0		FBABRN
CCn1cc([C@H]2C[C@@H](C(=O)NC(C)(C)CO)N(C)S(=O)(=O)N2)c(C)n1	ZINC000012130770	483452414	/nfs/dbraw/zinc/45/24/14/483452414.db2.gz	YUMXRICPFPZGEE-OLZOCXBDSA-N	0	0	373.479	-0.322	40	0		FBABRN
CCn1cc([C@@H]2C[C@H](C(=O)NC(C)(C)CO)N(C)S(=O)(=O)N2)c(C)n1	ZINC000012130774	207340915	/nfs/dbraw/zinc/34/09/15/207340915.db2.gz	YUMXRICPFPZGEE-QWHCGFSZSA-N	0	0	373.479	-0.322	40	0		FBABRN
CCn1cc([C@H]2C[C@H](C(=O)NC(C)(C)CO)N(C)S(=O)(=O)N2)c(C)n1	ZINC000012130779	483452617	/nfs/dbraw/zinc/45/26/17/483452617.db2.gz	YUMXRICPFPZGEE-CHWSQXEVSA-N	0	0	373.479	-0.322	40	0		FBABRN
Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCO2)N(C)S(=O)(=O)N1	ZINC000012131394	207340830	/nfs/dbraw/zinc/34/08/30/207340830.db2.gz	OANNNRJGSWFHIL-FPMFFAJLSA-N	0	0	371.463	-0.397	40	0		FBABRN
Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCCO2)N(C)S(=O)(=O)N1	ZINC000012131401	483452713	/nfs/dbraw/zinc/45/27/13/483452713.db2.gz	OANNNRJGSWFHIL-UBHSHLNASA-N	0	0	371.463	-0.397	40	0		FBABRN
COC[C@H](C)NC(=O)[C@@H]1C[C@@H](c2cn(C)nc2C)NS(=O)(=O)N1C	ZINC000012131577	207341014	/nfs/dbraw/zinc/34/10/14/207341014.db2.gz	BQALVVZJLOMHLX-XDTLVQLUSA-N	0	0	359.452	-0.541	40	0		FBABRN
COC[C@H](C)NC(=O)[C@H]1C[C@@H](c2cn(C)nc2C)NS(=O)(=O)N1C	ZINC000012131585	483452566	/nfs/dbraw/zinc/45/25/66/483452566.db2.gz	BQALVVZJLOMHLX-TVYUQYBPSA-N	0	0	359.452	-0.541	40	0		FBABRN
Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NC(C)(C)CO)N(C)S(=O)(=O)N1	ZINC000012131621	483452865	/nfs/dbraw/zinc/45/28/65/483452865.db2.gz	BQJFXSGLCIJFCN-NWDGAFQWSA-N	0	0	359.452	-0.805	40	0		FBABRN
Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NC(C)(C)CO)N(C)S(=O)(=O)N1	ZINC000012131625	207340930	/nfs/dbraw/zinc/34/09/30/207340930.db2.gz	BQJFXSGLCIJFCN-RYUDHWBXSA-N	0	0	359.452	-0.805	40	0		FBABRN
COCCNC(=O)CN1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2	ZINC000012142386	483454364	/nfs/dbraw/zinc/45/43/64/483454364.db2.gz	PXELSFQWRYFONI-UHFFFAOYSA-N	0	0	368.459	-0.055	40	0		FBABRN
Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CN1C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C1=O)C2	ZINC000012143180	483453975	/nfs/dbraw/zinc/45/39/75/483453975.db2.gz	RMCRJDJOXFLGIJ-CJXOWJITSA-N	0	0	370.409	-0.006	40	0		FBABRN
Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CN1C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C1=O)C2	ZINC000012143181	483454013	/nfs/dbraw/zinc/45/40/13/483454013.db2.gz	RMCRJDJOXFLGIJ-OJXGSEEGSA-N	0	0	370.409	-0.006	40	0		FBABRN
COCCn1nnnc1CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1	ZINC000012144578	207342566	/nfs/dbraw/zinc/34/25/66/207342566.db2.gz	MOWKEJJJNXLUBH-UHFFFAOYSA-N	0	0	360.422	-0.439	40	0		FBABRN
COCCn1c2ccccc2n2c(=O)n(CC(=O)N3CCOCC3)nc12	ZINC000012145082	483453839	/nfs/dbraw/zinc/45/38/39/483453839.db2.gz	DZRPSMUIYLOXOE-UHFFFAOYSA-N	0	0	359.386	-0.044	40	0		FBABRN
CC(=O)N1CCN(C(=O)Cn2nc3n(C)c4ccccc4n3c2=O)CC1	ZINC000012145275	210922332	/nfs/dbraw/zinc/92/23/32/210922332.db2.gz	PTECFIIPDSYVRV-UHFFFAOYSA-N	0	0	356.386	-0.322	40	0		FBABRN
Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)NC(C)(C)CO)=C2)cnn1C	ZINC000012155158	207343548	/nfs/dbraw/zinc/34/35/48/207343548.db2.gz	YQFFKNASDYRLTB-UHFFFAOYSA-N	0	0	355.420	-0.521	40	0		FBABRN
NC(=O)C1CCN(C(=O)Cn2nc3c4ccccc4ncn3c2=O)CC1	ZINC000012181809	483453297	/nfs/dbraw/zinc/45/32/97/483453297.db2.gz	QWIIQHZJDWNEIH-UHFFFAOYSA-N	0	0	354.370	-0.232	40	0		FBABRN
O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN21)N1CCOCC1	ZINC000012184161	207345595	/nfs/dbraw/zinc/34/55/95/207345595.db2.gz	GGALAVSAJSXZPL-UHFFFAOYSA-N	0	0	354.370	-0.527	40	0		FBABRN
CN1CCNC(=O)[C@@H]1CC(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2	ZINC000012185738	483453990	/nfs/dbraw/zinc/45/39/90/483453990.db2.gz	DDLZDXKIWCBAME-AWEZNQCLSA-N	0	0	372.425	-0.052	40	0		FBABRN
CN1CCNC(=O)[C@H]1CC(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2	ZINC000012185741	483454209	/nfs/dbraw/zinc/45/42/09/483454209.db2.gz	DDLZDXKIWCBAME-CQSZACIVSA-N	0	0	372.425	-0.052	40	0		FBABRN
C[C@@H]1Oc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2NC1=O	ZINC000012187730	219964902	/nfs/dbraw/zinc/96/49/02/219964902.db2.gz	RMJYNXDIAMEDRE-DTWKUNHWSA-N	0	0	360.413	-0.129	40	0		FBABRN
C[C@H]1Oc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2NC1=O	ZINC000012187734	207346346	/nfs/dbraw/zinc/34/63/46/207346346.db2.gz	RMJYNXDIAMEDRE-RKDXNWHRSA-N	0	0	360.413	-0.129	40	0		FBABRN
C[C@@H]1Oc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2NC1=O	ZINC000012187736	483453580	/nfs/dbraw/zinc/45/35/80/483453580.db2.gz	RMJYNXDIAMEDRE-IUCAKERBSA-N	0	0	360.413	-0.129	40	0		FBABRN
C[C@H]1Oc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2NC1=O	ZINC000012187739	483453722	/nfs/dbraw/zinc/45/37/22/483453722.db2.gz	RMJYNXDIAMEDRE-BDAKNGLRSA-N	0	0	360.413	-0.129	40	0		FBABRN
O=CN1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1	ZINC000012199431	483454468	/nfs/dbraw/zinc/45/44/68/483454468.db2.gz	GLOHNUYLEDFNEA-UHFFFAOYSA-N	0	0	351.384	-0.197	40	0		FBABRN
COCCn1c2ncccc2n(CC(=O)N2CCC(C(N)=O)CC2)c1=O	ZINC000012222532	204444997	/nfs/dbraw/zinc/44/49/97/204444997.db2.gz	XJIRFCPCJQDAEW-UHFFFAOYSA-N	0	0	361.402	-0.432	40	0		FBABRN
CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@@H](CO)[C@@H](O)[C@@H]1OC(C)=O	ZINC000012276942	484786631	/nfs/dbraw/zinc/78/66/31/484786631.db2.gz	RMUZLVNNQAJVHA-MZBWOGCUSA-N	0	0	353.371	-0.282	40	0		FBABRN
CO[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	ZINC000012406313	484791119	/nfs/dbraw/zinc/79/11/19/484791119.db2.gz	BKJUFVXNIJMMKO-SBJFKYEJSA-N	0	0	361.347	-0.711	40	0		FBABRN
CO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	ZINC000012406315	207371533	/nfs/dbraw/zinc/37/15/33/207371533.db2.gz	BKJUFVXNIJMMKO-QKGCVVFFSA-N	0	0	361.347	-0.711	40	0		FBABRN
CO[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O	ZINC000012406317	210951916	/nfs/dbraw/zinc/95/19/16/210951916.db2.gz	BKJUFVXNIJMMKO-SEBNEYGDSA-N	0	0	361.347	-0.711	40	0		FBABRN
COc1ccc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1OC	ZINC000012476603	220000507	/nfs/dbraw/zinc/00/05/07/220000507.db2.gz	HVWWOTDKTUZKIN-WRQOLXDDSA-N	0	0	371.386	-0.836	40	0		FBABRN
O=C(NC1CCCCC1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCOCC2)[C@H]1O	ZINC000012484127	220000455	/nfs/dbraw/zinc/00/04/55/220000455.db2.gz	SWXQRLDHZBABFH-DGXTUMSLSA-N	0	0	355.435	-0.196	40	0	biogenic,in-vitro	FBABRN
CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N(C)CCc2ccccn2)[C@H]1O	ZINC000012489950	206292820	/nfs/dbraw/zinc/29/28/20/206292820.db2.gz	NCOFKUBATFRSMT-DGXTUMSLSA-N	0	0	350.419	-0.272	40	0	biogenic,in-vitro	FBABRN
C/C=C/Cn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CC(N)=O)c(=O)n2C	ZINC000012516504	483455531	/nfs/dbraw/zinc/45/55/31/483455531.db2.gz	VXKOVAJEOAKOFM-AATRIKPKSA-N	0	0	371.401	-0.239	40	0		FBABRN
CS(=O)(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCCCC3)N2C1	ZINC000012530556	483689164	/nfs/dbraw/zinc/68/91/64/483689164.db2.gz	HQOFKLXQJFVZGB-MJBXVCDLSA-N	0	0	372.491	-0.730	40	0	biogenic,in-vitro	FBABRN
COCC(=O)NC[C@H]1O[C@@H](CC(=O)NCc2ccc(F)cc2)[C@@H](O)[C@@H]1O	ZINC000012603427	204481265	/nfs/dbraw/zinc/48/12/65/204481265.db2.gz	NNAZAPHGJCVXEM-NSNWQYSKSA-N	0	0	370.377	-0.916	40	0	biogenic,in-vitro	FBABRN
O=C(C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O)NCc1ccc(F)cc1	ZINC000012603519	484798148	/nfs/dbraw/zinc/79/81/48/484798148.db2.gz	LGRMEZNWEXUNKA-HDEZJCGLSA-N	0	0	366.389	-0.153	40	0	biogenic,in-vitro	FBABRN
COc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)cc1	ZINC000012603900	206293972	/nfs/dbraw/zinc/29/39/72/206293972.db2.gz	LYYCGWQOFSCEQY-HDEZJCGLSA-N	0	0	366.414	-0.171	40	0	biogenic,in-vitro	FBABRN
CC(=O)N1CCN(C(=O)c2ccccc2)[C@H](C(=O)N[C@H]2CCCNC2=O)C1	ZINC000012605346	291021874	/nfs/dbraw/zinc/02/18/74/291021874.db2.gz	JKUDBIWNTUYHEI-HOTGVXAUSA-N	0	0	372.425	-0.246	40	0	biogenic,in-vitro	FBABRN
CCOC(=O)C(C)(C(=O)OCC)n1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000013207542	211028132	/nfs/dbraw/zinc/02/81/32/211028132.db2.gz	CCURPRVGQZXQRA-UHFFFAOYSA-N	0	0	352.347	-0.725	40	0		FBABRN
C[C@H](NC(=O)C=Cc1ccco1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000013507359	484731891	/nfs/dbraw/zinc/73/18/91/484731891.db2.gz	KVMXOYCJJRUPKZ-UJYRLZNBSA-N	0	0	365.390	-0.370	40	0		FBABRN
CSCC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000013541721	207464828	/nfs/dbraw/zinc/46/48/28/207464828.db2.gz	FMYLZGQFKPHXHI-LPEHRKFASA-N	0	0	351.494	-0.106	40	0		FBABRN
COc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)cc1	ZINC000013613314	204539400	/nfs/dbraw/zinc/53/94/00/204539400.db2.gz	NTJHFAHDCXFPTN-UHFFFAOYSA-N	0	0	355.416	-0.238	40	0		FBABRN
CC(=O)c1cccc(N(CC(=O)N2CCN(C=O)CC2)S(C)(=O)=O)c1	ZINC000013613359	211044411	/nfs/dbraw/zinc/04/44/11/211044411.db2.gz	CRSBBBRNTCULRG-UHFFFAOYSA-N	0	0	367.427	-0.044	40	0		FBABRN
COc1ccccc1N(CC(=O)N1CCN(C=O)CC1)S(C)(=O)=O	ZINC000013669658	211047549	/nfs/dbraw/zinc/04/75/49/211047549.db2.gz	UICWVATVSIAFMP-UHFFFAOYSA-N	0	0	355.416	-0.238	40	0		FBABRN
CN(C)S(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccccc1	ZINC000013674552	483463227	/nfs/dbraw/zinc/46/32/27/483463227.db2.gz	HKRRXXMLFJGQRR-UHFFFAOYSA-N	0	0	354.432	-0.400	40	0		FBABRN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@@H](C)[C@H]12	ZINC000013828161	204555110	/nfs/dbraw/zinc/55/51/10/204555110.db2.gz	MRMBZHPJVKCOMA-SCVMZPAESA-O	0	0	351.408	-0.560	40	0		FBABRN
Cn1c2nc3n(c2c(=O)[nH]c1=O)CCN3c1ccc(S(N)(=O)=O)cc1	ZINC000013998331	483449946	/nfs/dbraw/zinc/44/99/46/483449946.db2.gz	NYFYRKKOSWMMJJ-UHFFFAOYSA-N	0	0	362.371	-0.778	40	0		FBABRN
COc1ccc(C(=O)NCCCO)cc1S(=O)(=O)N1CCOCC1	ZINC000014291861	483467287	/nfs/dbraw/zinc/46/72/87/483467287.db2.gz	YSXVUOSSOYPIQU-UHFFFAOYSA-N	0	0	358.416	-0.172	40	0		FBABRN
CC(=O)O[C@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CO)[C@@H]1OC(C)=O	ZINC000014414157	220123150	/nfs/dbraw/zinc/12/31/50/220123150.db2.gz	OUQFHKYWNKYTTQ-JMLLCIOISA-N	0	0	351.319	-0.838	40	0		FBABRN
CC(=O)O[C@H]1[C@H](n2cnc3c2ncnc3N)O[C@@H](CO)[C@@H]1OC(C)=O	ZINC000014414164	207518530	/nfs/dbraw/zinc/51/85/30/207518530.db2.gz	OUQFHKYWNKYTTQ-HJUHTLPRSA-N	0	0	351.319	-0.838	40	0		FBABRN
CN1CCN(C2=[NH+][C@H](C(=O)Nc3ccc4c(c3)OCCO4)C=C([O-])N2)CC1	ZINC000014606965	211096340	/nfs/dbraw/zinc/09/63/40/211096340.db2.gz	XYRBRYWFHFMXEA-ZDUSSCGKSA-N	0	0	373.413	-0.112	40	0		FBABRN
CN1CCN(C2=[NH+][C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C=C([O-])N2)CC1	ZINC000014606966	220127423	/nfs/dbraw/zinc/12/74/23/220127423.db2.gz	XYRBRYWFHFMXEA-CYBMUJFWSA-N	0	0	373.413	-0.112	40	0		FBABRN
CN1CCN(C2=[NH+][C@H](C(=O)Nc3ccc4c(c3)OCO4)C=C([O-])N2)CC1	ZINC000014606967	483468776	/nfs/dbraw/zinc/46/87/76/483468776.db2.gz	AYPZTWZDGHOHHF-LBPRGKRZSA-N	0	0	359.386	-0.154	40	0		FBABRN
CN1CCN(C2=[NH+][C@@H](C(=O)Nc3ccc4c(c3)OCO4)C=C([O-])N2)CC1	ZINC000014606968	483469264	/nfs/dbraw/zinc/46/92/64/483469264.db2.gz	AYPZTWZDGHOHHF-GFCCVEGCSA-N	0	0	359.386	-0.154	40	0		FBABRN
CC(=O)OC[C@@H](OC(C)=O)C(OC(C)=O)[C@H](COC(C)=O)OC(C)=O	ZINC000014854846	483471708	/nfs/dbraw/zinc/47/17/08/483471708.db2.gz	NVKPIAUSOPISJK-YIONKMFJSA-N	0	0	362.331	-0.092	40	0		FBABRN
COC(=O)c1nnn(-c2nonc2N)c1CNC[C@@H](O)c1ccccc1	ZINC000015188572	211123732	/nfs/dbraw/zinc/12/37/32/211123732.db2.gz	LKAGXTQVYCMAFQ-LLVKDONJSA-N	0	0	359.346	-0.158	40	0		FBABRN
COC(=O)c1nnn(-c2nonc2N)c1CNC[C@H](O)c1ccccc1	ZINC000015188574	204606177	/nfs/dbraw/zinc/60/61/77/204606177.db2.gz	LKAGXTQVYCMAFQ-NSHDSACASA-N	0	0	359.346	-0.158	40	0		FBABRN
CC(C)NC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)NC3CC3)N2C1	ZINC000015708328	220161416	/nfs/dbraw/zinc/16/14/16/220161416.db2.gz	QFSKNRKLJMPVKW-MJBXVCDLSA-N	0	0	351.451	-0.306	40	0	biogenic,in-vitro	FBABRN
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NC3CC3)CN21)NC1CC1	ZINC000015708334	220162021	/nfs/dbraw/zinc/16/20/21/220162021.db2.gz	MRPAALREFBKVCY-MJBXVCDLSA-N	0	0	365.503	-0.387	40	0	biogenic,in-vitro	FBABRN
O=C(N[C@H]1CCN2C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]12)c1cnccn1	ZINC000015708783	484115396	/nfs/dbraw/zinc/11/53/96/484115396.db2.gz	VUNAKBJSNGWPML-LZWOXQAQSA-N	0	0	365.393	-0.083	40	0	biogenic,in-vitro	FBABRN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)N[C@]21C(=O)Nc2ccccc21	ZINC000016022080	211154088	/nfs/dbraw/zinc/15/40/88/211154088.db2.gz	ZKORIKIQARBDPT-SUAFXVPYSA-N	0	0	359.382	-0.566	40	0		FBABRN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)N[C@]21C(=O)Nc2ccccc21	ZINC000016022196	484540490	/nfs/dbraw/zinc/54/04/90/484540490.db2.gz	APGQXYKDXFQABD-OPFNMXCZSA-N	0	0	373.409	-0.176	40	0		FBABRN
NC(=S)NNCn1c(=S)sc(=S)n1CNNC(N)=S	ZINC000016136379	220178031	/nfs/dbraw/zinc/17/80/31/220178031.db2.gz	MPRLUDBIVBOSGU-UHFFFAOYSA-N	0	0	356.553	-0.599	40	0		FBABRN
COc1ccc(C(c2c(N)[nH]c(=O)[nH]c2=O)c2c(N)[nH]c(=O)[nH]c2=O)cc1	ZINC000016216408	220181602	/nfs/dbraw/zinc/18/16/02/220181602.db2.gz	BRKVGUFUVUVIGV-UHFFFAOYSA-N	0	0	372.341	-0.382	40	0		FBABRN
COc1ccccc1C(c1c(N)[nH]c(=O)[nH]c1=O)c1c(N)[nH]c(=O)[nH]c1=O	ZINC000016228410	204632762	/nfs/dbraw/zinc/63/27/62/204632762.db2.gz	LTEWENJDPDOAJZ-UHFFFAOYSA-N	0	0	372.341	-0.382	40	0		FBABRN
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCO	ZINC000016428866	220183547	/nfs/dbraw/zinc/18/35/47/220183547.db2.gz	MOOIBVKGWOHIQN-UHFFFAOYSA-N	0	0	358.416	-0.415	40	0		FBABRN
O=C1N[C@H]2C(=O)NC(=O)N[C@H]2N1S(=O)(=O)c1cccc2cccnc21	ZINC000016448803	483480768	/nfs/dbraw/zinc/48/07/68/483480768.db2.gz	VCJZEMXIMAZRBF-MNOVXSKESA-N	0	0	361.339	-0.517	40	0		FBABRN
O=C1N[C@H]2C(=O)NC(=O)N[C@@H]2N1S(=O)(=O)c1cccc2cccnc21	ZINC000016448804	483480033	/nfs/dbraw/zinc/48/00/33/483480033.db2.gz	VCJZEMXIMAZRBF-GHMZBOCLSA-N	0	0	361.339	-0.517	40	0		FBABRN
O=C1N[C@@H]2C(=O)NC(=O)N[C@H]2N1S(=O)(=O)c1cccc2cccnc21	ZINC000016448807	483480502	/nfs/dbraw/zinc/48/05/02/483480502.db2.gz	VCJZEMXIMAZRBF-QWRGUYRKSA-N	0	0	361.339	-0.517	40	0		FBABRN
O=C1N[C@@H]2C(=O)NC(=O)N[C@@H]2N1S(=O)(=O)c1cccc2cccnc21	ZINC000016448809	220185770	/nfs/dbraw/zinc/18/57/70/220185770.db2.gz	VCJZEMXIMAZRBF-WDEREUQCSA-N	0	0	361.339	-0.517	40	0		FBABRN
O=c1[nH]cnc2c1nc(NCc1ccccc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000016480200	220185114	/nfs/dbraw/zinc/18/51/14/220185114.db2.gz	MVFAUQAGTQMVFP-YPHNTLSLSA-N	0	0	373.369	-0.657	40	0		FBABRN
O=C(CSc1nc2ccccc2n1CC(=O)NCCO)NCCO	ZINC000016545221	220185998	/nfs/dbraw/zinc/18/59/98/220185998.db2.gz	ANDQGFCCVVSUAB-UHFFFAOYSA-N	0	0	352.416	-0.655	40	0		FBABRN
COC(=O)[C@]12C=C[C@](C(=O)OC)(CC1)n1c(=O)n(-c3ccccc3)c(=O)n12	ZINC000016939956	220198030	/nfs/dbraw/zinc/19/80/30/220198030.db2.gz	DUWWTJZLMGNTRD-HDICACEKSA-N	0	0	371.349	-0.099	40	0		FBABRN
CC(=O)N([C@@H](CN1CC(=O)[O+]=N1)C(=O)[O-])S(=O)(=O)c1ccc(C)cc1	ZINC000017005511	483481969	/nfs/dbraw/zinc/48/19/69/483481969.db2.gz	LRFLJKZORVAMIH-LBPRGKRZSA-O	0	0	370.363	-0.333	40	0		FBABRN
CCCC[S@@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O	ZINC000017047675	220201036	/nfs/dbraw/zinc/20/10/36/220201036.db2.gz	VTHCVIXENYOZQB-WGIHBYKOSA-N	0	0	357.432	-0.589	40	0		FBABRN
COCCOCc1nc2n(n1)[C@H](C(=O)NC[C@@H]1CCCO1)CC(=O)N2	ZINC000017073159	483497261	/nfs/dbraw/zinc/49/72/61/483497261.db2.gz	SFUMTILPUNLFRU-QWRGUYRKSA-N	0	0	353.379	-0.380	40	0		FBABRN
COCCOCc1nc2n(n1)[C@@H](C(=O)NC[C@@H]1CCCO1)CC(=O)N2	ZINC000017073160	483497619	/nfs/dbraw/zinc/49/76/19/483497619.db2.gz	SFUMTILPUNLFRU-WDEREUQCSA-N	0	0	353.379	-0.380	40	0		FBABRN
COCCOCc1nc2n(n1)[C@H](C(=O)NC[C@H]1CCCO1)CC(=O)N2	ZINC000017073161	483497815	/nfs/dbraw/zinc/49/78/15/483497815.db2.gz	SFUMTILPUNLFRU-MNOVXSKESA-N	0	0	353.379	-0.380	40	0		FBABRN
COCCOCc1nc2n(n1)[C@@H](C(=O)NC[C@H]1CCCO1)CC(=O)N2	ZINC000017073162	483497055	/nfs/dbraw/zinc/49/70/55/483497055.db2.gz	SFUMTILPUNLFRU-GHMZBOCLSA-N	0	0	353.379	-0.380	40	0		FBABRN
Cn1c2ncn(CCSc3ncnc4[nH]cnc43)c2c(=O)n(C)c1=O	ZINC000017107056	211180045	/nfs/dbraw/zinc/18/00/45/211180045.db2.gz	PLUNFNPQLPNQSR-UHFFFAOYSA-N	0	0	358.387	-0.108	40	0		FBABRN
CC(C)[C@@H]1N(N2C(=O)CS(=O)(=O)[C@H]2C(C)C)C(=O)CS1(=O)=O	ZINC000017142856	483481462	/nfs/dbraw/zinc/48/14/62/483481462.db2.gz	GKCWEGDQEAJDNC-TXEJJXNPSA-N	0	0	352.434	-0.620	40	0		FBABRN
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I	ZINC000017142919	483771331	/nfs/dbraw/zinc/77/13/31/483771331.db2.gz	GIMSJJHKKXRFGV-BYPJNBLXSA-N	0	0	371.106	-0.981	40	0	in-man	FBABRN
OC[C@@H]1O[C@@H](n2cc(Br)c3c2[nH]cnc3=NO)[C@@H](O)[C@@H]1O	ZINC000017419747	483482542	/nfs/dbraw/zinc/48/25/42/483482542.db2.gz	VZHZLQSYTLUDQR-IZCITBFLSA-N	0	0	361.152	-0.394	40	0		FBABRN
OC[C@@H]1O[C@H](n2cc(Br)c3c2[nH]cnc3=NO)[C@@H](O)[C@@H]1O	ZINC000017419753	483483252	/nfs/dbraw/zinc/48/32/52/483483252.db2.gz	VZHZLQSYTLUDQR-YRCUVVFSSA-N	0	0	361.152	-0.394	40	0		FBABRN
CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)C2=NNC(=O)CC2)C3)C1	ZINC000019016595	220234305	/nfs/dbraw/zinc/23/43/05/220234305.db2.gz	PYVSUJYMAFJXDK-GFCCVEGCSA-N	0	0	370.413	-0.037	40	0		FBABRN
CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)C2=NNC(=O)CC2)C3)C1	ZINC000019016597	483486018	/nfs/dbraw/zinc/48/60/18/483486018.db2.gz	PYVSUJYMAFJXDK-LBPRGKRZSA-N	0	0	370.413	-0.037	40	0		FBABRN
CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)C4=NNC(=O)CC4)C3)ncc2C1	ZINC000019018637	211198870	/nfs/dbraw/zinc/19/88/70/211198870.db2.gz	WPAYRSLNQBSAFE-GFCCVEGCSA-N	0	0	370.413	-0.037	40	0		FBABRN
CC(=O)N1CCc2nc([C@H]3CCN(C(=O)C4=NNC(=O)CC4)C3)ncc2C1	ZINC000019018638	483485349	/nfs/dbraw/zinc/48/53/49/483485349.db2.gz	WPAYRSLNQBSAFE-LBPRGKRZSA-N	0	0	370.413	-0.037	40	0		FBABRN
Cc1cc2c(cc1NC(=O)c1cc(=O)n(C)c(=O)n1C)n(C)c(=O)n2C	ZINC000019125868	483485503	/nfs/dbraw/zinc/48/55/03/483485503.db2.gz	XGMYIZHVLUUPRQ-UHFFFAOYSA-N	0	0	357.370	-0.165	40	0		FBABRN
Cc1ccc(C(=O)NCc2cc(O)nc(N3CCOCC3)n2)c(=O)n1C	ZINC000019131817	483485306	/nfs/dbraw/zinc/48/53/06/483485306.db2.gz	ZOFHEDICFGAHRX-UHFFFAOYSA-N	0	0	359.386	-0.044	40	0		FBABRN
O=C(NCCO)c1ccc(C(F)(F)F)nc1N1CCN(CCO)CC1	ZINC000019341678	483485712	/nfs/dbraw/zinc/48/57/12/483485712.db2.gz	SFCSXZHBQVLJTB-UHFFFAOYSA-N	0	0	362.352	-0.063	40	0		FBABRN
O=C1CCC(=O)N1CCS(=O)(=O)N1CCN(c2nccs2)CC1	ZINC000019406340	220255074	/nfs/dbraw/zinc/25/50/74/220255074.db2.gz	ZOYUIVSEGGEXKT-UHFFFAOYSA-N	0	0	358.445	-0.256	40	0		FBABRN
CCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1	ZINC000019498514	220262695	/nfs/dbraw/zinc/26/26/95/220262695.db2.gz	NDJHBLPDNYVNOB-SNVBAGLBSA-N	0	0	354.432	-0.187	40	0		FBABRN
CCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)C1	ZINC000019498515	220264379	/nfs/dbraw/zinc/26/43/79/220264379.db2.gz	NDJHBLPDNYVNOB-JTQLQIEISA-N	0	0	354.432	-0.187	40	0		FBABRN
CCS(=O)(=O)N1CCN(Cc2cnc(N3CCOCC3)nc2)CC1	ZINC000019520378	132888316	/nfs/dbraw/zinc/88/83/16/132888316.db2.gz	KCUOCCTYMLJWPR-UHFFFAOYSA-N	0	0	355.464	-0.220	40	0		FBABRN
CCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCOCC3)=C2)c1C	ZINC000019523893	211228829	/nfs/dbraw/zinc/22/88/29/211228829.db2.gz	XWRMMXHNHDXYLO-UHFFFAOYSA-N	0	0	367.431	-0.067	40	0		FBABRN
CCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)NCCOC)=C2)c1C	ZINC000019523900	204686758	/nfs/dbraw/zinc/68/67/58/204686758.db2.gz	YJYIFQUKCDGPEX-UHFFFAOYSA-N	0	0	355.420	-0.163	40	0		FBABRN
CCn1cc(CN2CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)CC2)c(C)n1	ZINC000019524573	483487011	/nfs/dbraw/zinc/48/70/11/483487011.db2.gz	GRVGNPUWIZSUPD-UHFFFAOYSA-N	0	0	374.445	-0.433	40	0		FBABRN
COc1cnc(C2(O)CCN(C(=O)CN3CCOCC3)CC2)c(OC)n1	ZINC000019571948	483486859	/nfs/dbraw/zinc/48/68/59/483486859.db2.gz	AAWRICCLQWRMHK-UHFFFAOYSA-N	0	0	366.418	-0.364	40	0		FBABRN
Cc1cc(C)n(C)c(=O)c1C(=O)NCc1cc(=O)[nH]c(N2CCOCC2)n1	ZINC000019572277	483487064	/nfs/dbraw/zinc/48/70/64/483487064.db2.gz	HMDAVLABLZTOEL-UHFFFAOYSA-N	0	0	373.413	-0.148	40	0		FBABRN
CS(=O)(=O)NCC(=O)N1CCC[C@@H](c2cc(=O)nc3n2CCC3)C1	ZINC000019573186	483486875	/nfs/dbraw/zinc/48/68/75/483486875.db2.gz	OOMIIVWZMMTELE-LLVKDONJSA-N	0	0	354.432	-0.555	40	0		FBABRN
CS(=O)(=O)NCC(=O)N1CCC[C@H](c2cc(=O)nc3n2CCC3)C1	ZINC000019573189	483487501	/nfs/dbraw/zinc/48/75/01/483487501.db2.gz	OOMIIVWZMMTELE-NSHDSACASA-N	0	0	354.432	-0.555	40	0		FBABRN
CN(C)S(=O)(=O)N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1	ZINC000019583720	132889408	/nfs/dbraw/zinc/88/94/08/132889408.db2.gz	PSKOLKPBDWNPDL-UHFFFAOYSA-N	0	0	370.479	-0.763	40	0		FBABRN
CN(C(=O)Cn1nc(-c2ccco2)cc(N)c1=O)[C@@H]1CCS(=O)(=O)C1	ZINC000019585869	483487356	/nfs/dbraw/zinc/48/73/56/483487356.db2.gz	MWUZEJKPAYXSPZ-SNVBAGLBSA-N	0	0	366.399	-0.269	40	0		FBABRN
CN(C(=O)Cn1nc(-c2ccco2)cc(N)c1=O)[C@H]1CCS(=O)(=O)C1	ZINC000019585871	211237434	/nfs/dbraw/zinc/23/74/34/211237434.db2.gz	MWUZEJKPAYXSPZ-JTQLQIEISA-N	0	0	366.399	-0.269	40	0		FBABRN
CNC(=O)[C@@H]1CN(S(C)(=O)=O)C[C@H]1c1ccnc(N2CCCC2)n1	ZINC000019591951	211240426	/nfs/dbraw/zinc/24/04/26/211240426.db2.gz	QWAGZHKKMVKJER-VXGBXAGGSA-N	0	0	353.448	-0.202	40	0		FBABRN
COCCNC(=O)c1cn(C[C@H]2CCCN(C(=O)c3cc[nH]n3)C2)nn1	ZINC000019593582	483487456	/nfs/dbraw/zinc/48/74/56/483487456.db2.gz	JLOYAGNUUFSSMA-LBPRGKRZSA-N	0	0	361.406	-0.070	40	0		FBABRN
CN(CC1(C)COC1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1	ZINC000019655114	211243036	/nfs/dbraw/zinc/24/30/36/211243036.db2.gz	RLFWGJUKTNQSDM-LLVKDONJSA-N	0	0	357.432	-0.353	40	0		FBABRN
CN(CC1(C)COC1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1	ZINC000019655116	211243020	/nfs/dbraw/zinc/24/30/20/211243020.db2.gz	RLFWGJUKTNQSDM-NSHDSACASA-N	0	0	357.432	-0.353	40	0		FBABRN
Cn1cc(S(=O)(=O)N2CCN(c3nccs3)CC2)c(=O)n(C)c1=O	ZINC000019656957	211242905	/nfs/dbraw/zinc/24/29/05/211242905.db2.gz	PMEBYWJNWRAHJL-UHFFFAOYSA-N	0	0	371.444	-0.949	40	0		FBABRN
NC(=O)C1(N2CCOCC2)CCN(CC(=O)Nc2nccs2)CC1	ZINC000019657845	483487028	/nfs/dbraw/zinc/48/70/28/483487028.db2.gz	MEOJKCFCDHFPDK-UHFFFAOYSA-N	0	0	353.448	-0.266	40	0		FBABRN
O=C(CN1CCNC(=O)C1)Nc1ccc(N2CCCS2(=O)=O)cc1	ZINC000019660356	483487597	/nfs/dbraw/zinc/48/75/97/483487597.db2.gz	PVDZEDBUUAFENI-UHFFFAOYSA-N	0	0	352.416	-0.403	40	0		FBABRN
O=C(CN1CCNC(=O)C1)Nc1cccc(N2CCCCS2(=O)=O)c1	ZINC000019660358	132889981	/nfs/dbraw/zinc/88/99/81/132889981.db2.gz	JTQPKIUZTVNOOE-UHFFFAOYSA-N	0	0	366.443	-0.013	40	0		FBABRN
CS(=O)(=O)N1CCCc2ccc(NC(=O)CN3CCNC(=O)C3)cc21	ZINC000019660360	132890203	/nfs/dbraw/zinc/89/02/03/132890203.db2.gz	NEWKBRMJWSJMKO-UHFFFAOYSA-N	0	0	366.443	-0.231	40	0		FBABRN
O=C(NCCCn1cccn1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1	ZINC000019661429	220283759	/nfs/dbraw/zinc/28/37/59/220283759.db2.gz	DSSOYQFIABORRS-GFCCVEGCSA-N	0	0	367.431	-0.445	40	0		FBABRN
O=C(NCCCn1cccn1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1	ZINC000019661431	483487629	/nfs/dbraw/zinc/48/76/29/483487629.db2.gz	DSSOYQFIABORRS-LBPRGKRZSA-N	0	0	367.431	-0.445	40	0		FBABRN
Cc1ccnn1[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000019664547	207696713	/nfs/dbraw/zinc/69/67/13/207696713.db2.gz	LJHCLLWJFKRAIX-AWEZNQCLSA-N	0	0	371.463	-0.526	40	0		FBABRN
Cc1ccnn1[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000019664550	483487148	/nfs/dbraw/zinc/48/71/48/483487148.db2.gz	LJHCLLWJFKRAIX-CQSZACIVSA-N	0	0	371.463	-0.526	40	0		FBABRN
COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1	ZINC000019665112	211244355	/nfs/dbraw/zinc/24/43/55/211244355.db2.gz	JEQJXRYAQHCDIE-UHFFFAOYSA-N	0	0	370.431	-0.575	40	0		FBABRN
O=C(CCCCC(=O)NCCN1CCOCC1)NCCN1CCOCC1	ZINC000019690532	483489162	/nfs/dbraw/zinc/48/91/62/483489162.db2.gz	OFMJJSHHYYKYHD-UHFFFAOYSA-N	0	0	370.494	-0.556	40	0		FBABRN
CN(C)Cc1cc([C@@H]2CCCN2C(=O)CNS(=O)(=O)N(C)C)nn1C	ZINC000019710068	211246202	/nfs/dbraw/zinc/24/62/02/211246202.db2.gz	CIUHMZAHMUMPNY-AWEZNQCLSA-N	0	0	372.495	-0.459	40	0		FBABRN
CN(C)Cc1cc([C@H]2CCCN2C(=O)CNS(=O)(=O)N(C)C)nn1C	ZINC000019710069	211248006	/nfs/dbraw/zinc/24/80/06/211248006.db2.gz	CIUHMZAHMUMPNY-CQSZACIVSA-N	0	0	372.495	-0.459	40	0		FBABRN
CN(C)S(=O)(=O)c1ccc(CNC(=O)C(C)(C)n2cnnn2)cc1	ZINC000019714403	211247088	/nfs/dbraw/zinc/24/70/88/211247088.db2.gz	LXIKVISUVCYXSQ-UHFFFAOYSA-N	0	0	352.420	-0.025	40	0		FBABRN
Cn1cc(NC(=O)CN2CCN(S(=O)(=O)N3CCCC3)CC2)cn1	ZINC000019715556	204702223	/nfs/dbraw/zinc/70/22/23/204702223.db2.gz	IQYFZZBYGRZXDR-UHFFFAOYSA-N	0	0	356.452	-0.683	40	0		FBABRN
Cc1c(NC(=O)CN2CCN(S(=O)(=O)N3CCCC3)CC2)cnn1C	ZINC000019715577	211248362	/nfs/dbraw/zinc/24/83/62/211248362.db2.gz	NWCUWWZRNUPUSC-UHFFFAOYSA-N	0	0	370.479	-0.375	40	0		FBABRN
Cc1cc(NC(=O)CN2CCN(S(=O)(=O)N3CCCC3)CC2)no1	ZINC000019715909	220290130	/nfs/dbraw/zinc/29/01/30/220290130.db2.gz	HVQXPOGVJXPMLE-UHFFFAOYSA-N	0	0	357.436	-0.120	40	0		FBABRN
Cn1cc(S(=O)(=O)NCCCOc2ccccc2F)c(=O)n(C)c1=O	ZINC000019715962	483488985	/nfs/dbraw/zinc/48/89/85/483488985.db2.gz	AGUMGLZGDZQBBT-UHFFFAOYSA-N	0	0	371.390	-0.030	40	0		FBABRN
Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cn1	ZINC000019716028	211248423	/nfs/dbraw/zinc/24/84/23/211248423.db2.gz	KBFQUKKKAUYQEC-UHFFFAOYSA-N	0	0	363.465	-0.933	40	0		FBABRN
CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1	ZINC000019716033	211249276	/nfs/dbraw/zinc/24/92/76/211249276.db2.gz	DPHQJPKISADRQV-UHFFFAOYSA-N	0	0	365.481	-0.687	40	0		FBABRN
CNc1ncc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cn1	ZINC000019718558	483488685	/nfs/dbraw/zinc/48/86/85/483488685.db2.gz	CCILRGYHYVWLJF-UHFFFAOYSA-N	0	0	354.436	-0.383	40	0		FBABRN
Cc1cc(C)n(CC(=O)N2CCO[C@@](C)(C(=O)N3CCOCC3)C2)n1	ZINC000019746870	211253651	/nfs/dbraw/zinc/25/36/51/211253651.db2.gz	MBAMHPSTFQAECB-QGZVFWFLSA-N	0	0	350.419	-0.024	40	0		FBABRN
Cc1cc(C)n(CC(=O)N2CCO[C@](C)(C(=O)N3CCOCC3)C2)n1	ZINC000019746871	211253291	/nfs/dbraw/zinc/25/32/91/211253291.db2.gz	MBAMHPSTFQAECB-KRWDZBQOSA-N	0	0	350.419	-0.024	40	0		FBABRN
C[C@@]1(C(=O)N2CCOCC2)CN(C(=O)Cn2nnc3ccccc32)CCO1	ZINC000019747090	211253456	/nfs/dbraw/zinc/25/34/56/211253456.db2.gz	HOJVUILDCUSQGE-SFHVURJKSA-N	0	0	373.413	-0.092	40	0		FBABRN
C[C@]1(C(=O)N2CCOCC2)CN(C(=O)Cn2nnc3ccccc32)CCO1	ZINC000019747091	483488906	/nfs/dbraw/zinc/48/89/06/483488906.db2.gz	HOJVUILDCUSQGE-GOSISDBHSA-N	0	0	373.413	-0.092	40	0		FBABRN
CCNC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c21	ZINC000019819016	483488893	/nfs/dbraw/zinc/48/88/93/483488893.db2.gz	LRBFELYMLQXAEZ-SECBINFHSA-N	0	0	362.390	-0.967	40	0		FBABRN
CCNC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c21	ZINC000019819017	483488035	/nfs/dbraw/zinc/48/80/35/483488035.db2.gz	LRBFELYMLQXAEZ-VIFPVBQESA-N	0	0	362.390	-0.967	40	0		FBABRN
CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2ccccc2)CC1	ZINC000019929845	483539603	/nfs/dbraw/zinc/53/96/03/483539603.db2.gz	JRHZNXINFOZVMJ-UHFFFAOYSA-N	0	0	354.432	-0.682	40	0		FBABRN
COc1ccc(CNS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1OC	ZINC000020030485	524073892	/nfs/dbraw/zinc/07/38/92/524073892.db2.gz	YSDUVJDWHUCXAR-UHFFFAOYSA-N	0	0	355.372	-0.133	40	0		FBABRN
Cc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1-n1cnnn1	ZINC000020097897	220311990	/nfs/dbraw/zinc/31/19/90/220311990.db2.gz	BRPXOCOCOKYWNL-UHFFFAOYSA-N	0	0	352.420	-0.419	40	0		FBABRN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccccc1F)N[C@@]2(CO)C(=O)OC	ZINC000020150532	220316131	/nfs/dbraw/zinc/31/61/31/220316131.db2.gz	JXSJQPJTLLOUGN-APNQJHFZSA-N	0	0	350.346	-0.005	40	0		FBABRN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccccc1F)N[C@@]2(CO)C(=O)OC	ZINC000020150533	206330431	/nfs/dbraw/zinc/33/04/31/206330431.db2.gz	JXSJQPJTLLOUGN-NEULZYRMSA-N	0	0	350.346	-0.005	40	0		FBABRN
O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1	ZINC000020174391	220318610	/nfs/dbraw/zinc/31/86/10/220318610.db2.gz	IXZQXRYIBQURIW-UHFFFAOYSA-N	0	0	367.427	-0.050	40	0		FBABRN
CN(C)S(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccc(F)cc1	ZINC000020245437	211274032	/nfs/dbraw/zinc/27/40/32/211274032.db2.gz	AXZOKHWECZOTJG-UHFFFAOYSA-N	0	0	372.422	-0.261	40	0		FBABRN
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CCN(C=O)CC2)cc1	ZINC000020245910	211273507	/nfs/dbraw/zinc/27/35/07/211273507.db2.gz	AAFXZPNUGQWZBQ-UHFFFAOYSA-N	0	0	354.432	-0.157	40	0		FBABRN
O[C@@H](COCCOCCOCCN1CCOCC1)CN1CCOCC1	ZINC000020247358	527658365	/nfs/dbraw/zinc/65/83/65/527658365.db2.gz	TYJUVYCLYMSJKG-QGZVFWFLSA-N	0	0	362.467	-0.939	40	0		FBABRN
O[C@H](COCCOCCOCCN1CCOCC1)CN1CCOCC1	ZINC000020247362	526283348	/nfs/dbraw/zinc/28/33/48/526283348.db2.gz	TYJUVYCLYMSJKG-KRWDZBQOSA-N	0	0	362.467	-0.939	40	0		FBABRN
CCOC(=O)N1CCN(Cc2nc(N)nc(N3CCOCC3)n2)CC1	ZINC000020423505	483568608	/nfs/dbraw/zinc/56/86/08/483568608.db2.gz	MGCCFAJQYDSMKG-UHFFFAOYSA-N	0	0	351.411	-0.436	40	0		FBABRN
CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCC(C(=O)OC)CC2)[C@H]1O	ZINC000020463635	220327096	/nfs/dbraw/zinc/32/70/96/220327096.db2.gz	JMSVNZLPOJEAKP-XLFUENPSSA-N	0	0	357.407	-0.956	40	0	biogenic,in-vitro	FBABRN
CC(=O)N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NCc3ccccn3)[C@@H]2O)CC1	ZINC000020463665	220327773	/nfs/dbraw/zinc/32/77/73/220327773.db2.gz	YNHWOXUTHLKJHB-HSFUPAIVSA-N	0	0	362.430	-0.812	40	0	biogenic,in-vitro	FBABRN
CC(=O)N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NCc3ccco3)[C@@H]2O)CC1	ZINC000020463684	220327918	/nfs/dbraw/zinc/32/79/18/220327918.db2.gz	BCBQOXIPZHAELO-OVYGPGRDSA-N	0	0	351.403	-0.614	40	0	biogenic,in-vitro	FBABRN
O[C@@H]1[C@@H](N2CCOCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccc2c(c1)OCO2	ZINC000020463842	206331643	/nfs/dbraw/zinc/33/16/43/206331643.db2.gz	ZOVDHDRXSRHIBB-HSFUPAIVSA-N	0	0	364.398	-0.310	40	0	biogenic,in-vitro	FBABRN
COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCOCC2)cc1	ZINC000020464722	484852720	/nfs/dbraw/zinc/85/27/20/484852720.db2.gz	LFPMHBRFNKITDD-LTIDMASMSA-N	0	0	366.414	-0.754	40	0	biogenic,in-vitro	FBABRN
O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1)c1cccs1	ZINC000020465019	527227965	/nfs/dbraw/zinc/22/79/65/527227965.db2.gz	UGAXFJLTXOMNFW-UVLXDEKHSA-N	0	0	362.473	-0.389	40	0	biogenic,in-vitro	FBABRN
CN1CCN([C@H]2[C@@H](CNC(=O)c3cccs3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465116	484852935	/nfs/dbraw/zinc/85/29/35/484852935.db2.gz	FSTYLTSCIWFNHI-PAPYEOQZSA-N	0	0	355.460	-0.786	40	0	biogenic,in-vitro	FBABRN
CN1CCN([C@H]2[C@@H](CNC(=O)c3cccc(F)c3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465122	484853059	/nfs/dbraw/zinc/85/30/59/484853059.db2.gz	BBBQSECCYOGDEU-LTIDMASMSA-N	0	0	367.421	-0.708	40	0	biogenic,in-vitro	FBABRN
CN1CCN([C@H]2[C@@H](CNC(=O)Nc3ccsc3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465158	484853028	/nfs/dbraw/zinc/85/30/28/484853028.db2.gz	JHJYJHBBGUSLRN-CBBWQLFWSA-N	0	0	370.475	-0.394	40	0	biogenic,in-vitro	FBABRN
CN1CCN([C@H]2[C@@H](CNC(=O)Nc3ccccc3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465161	484852770	/nfs/dbraw/zinc/85/27/70/484852770.db2.gz	GNPFKVFEXGVOFD-LTIDMASMSA-N	0	0	364.446	-0.455	40	0	biogenic,in-vitro	FBABRN
COCC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCc2ccccc2C1	ZINC000020465204	484852605	/nfs/dbraw/zinc/85/26/05/484852605.db2.gz	DIMSGULGQUFBHU-MXSMSXNCSA-N	0	0	350.415	-0.704	40	0	biogenic,in-vitro	FBABRN
CS(=O)(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCc2ccccc2C1	ZINC000020465221	220327173	/nfs/dbraw/zinc/32/71/73/220327173.db2.gz	OCPLSMLMBPMJBF-FXUDXRNXSA-N	0	0	356.444	-0.917	40	0	biogenic,in-vitro	FBABRN
CC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccc(F)cc2)CC1	ZINC000020465339	484852007	/nfs/dbraw/zinc/85/20/07/484852007.db2.gz	LNVGNZCLVHCUBI-VSZNYVQBSA-N	0	0	367.421	-0.427	40	0	biogenic,in-vitro	FBABRN
O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCCC1)c1ccccc1	ZINC000020465704	220327825	/nfs/dbraw/zinc/32/78/25/220327825.db2.gz	ZGZDZSZCFUZRDT-LTIDMASMSA-N	0	0	370.471	-0.060	40	0	biogenic,in-vitro	FBABRN
COCC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@H+](C)CCc1ccccc1	ZINC000020465743	522765393	/nfs/dbraw/zinc/76/53/93/522765393.db2.gz	RZFJZRHXEPHTEP-MXSMSXNCSA-N	0	0	352.431	-0.587	40	0	biogenic,in-vitro	FBABRN
CN(C)S(=O)(=O)N(CC(=O)N1CCN(C=O)CC1)c1ccccc1F	ZINC000020485692	220329121	/nfs/dbraw/zinc/32/91/21/220329121.db2.gz	HUCRRMSCHVXMHV-UHFFFAOYSA-N	0	0	372.422	-0.261	40	0		FBABRN
COCC(=O)N1CCNC[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O	ZINC000020504963	206337885	/nfs/dbraw/zinc/33/78/85/206337885.db2.gz	PXIWKWDSJYPRCG-UONOGXRCSA-N	0	0	354.451	-0.626	40	0	biogenic,in-vitro	FBABRN
CS(=O)(=O)N1CCNC[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O	ZINC000020504969	484852558	/nfs/dbraw/zinc/85/25/58/484852558.db2.gz	GLNHOVCJCNOPLH-QWHCGFSZSA-N	0	0	360.480	-0.840	40	0	biogenic,in-vitro	FBABRN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@]21C(=O)Nc2ccccc21	ZINC000020548768	211286565	/nfs/dbraw/zinc/28/65/65/211286565.db2.gz	ZKORIKIQARBDPT-HDFSSZIISA-N	0	0	359.382	-0.566	40	0		FBABRN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@]21C(=O)Nc2ccccc21	ZINC000020565804	484854034	/nfs/dbraw/zinc/85/40/34/484854034.db2.gz	APGQXYKDXFQABD-AGRWCFHSSA-N	0	0	373.409	-0.176	40	0		FBABRN
COCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000020768858	263382759	/nfs/dbraw/zinc/38/27/59/263382759.db2.gz	YBWBFJYFOIHPHV-UHFFFAOYSA-N	0	0	369.443	-0.150	40	0		FBABRN
COCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000020768865	263383198	/nfs/dbraw/zinc/38/31/98/263383198.db2.gz	OEIRYOOISXEQAW-UHFFFAOYSA-N	0	0	357.432	-0.294	40	0		FBABRN
CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCCO2)cc1	ZINC000020768993	263382567	/nfs/dbraw/zinc/38/25/67/263382567.db2.gz	AXPOSFYNCZGTSL-ZDUSSCGKSA-N	0	0	369.443	-0.152	40	0		FBABRN
CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@H]2CCCO2)cc1	ZINC000020768996	263382630	/nfs/dbraw/zinc/38/26/30/263382630.db2.gz	AXPOSFYNCZGTSL-CYBMUJFWSA-N	0	0	369.443	-0.152	40	0		FBABRN
C[C@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12	ZINC000021985877	483494381	/nfs/dbraw/zinc/49/43/81/483494381.db2.gz	MRMBZHPJVKCOMA-JZSSXWJLSA-O	0	0	351.408	-0.560	40	0		FBABRN
CC(C)NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000022228076	211342249	/nfs/dbraw/zinc/34/22/49/211342249.db2.gz	KTVCYUMZGQHWLL-UHFFFAOYSA-N	0	0	369.443	-0.152	40	0		FBABRN
COCCNC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000022228210	220380481	/nfs/dbraw/zinc/38/04/81/220380481.db2.gz	XOUDETNGHKMIKD-UHFFFAOYSA-N	0	0	371.459	-0.205	40	0		FBABRN
CN(c1ccc(OCC(=O)NCCN2CCOCC2)cc1)S(C)(=O)=O	ZINC000022230826	483494211	/nfs/dbraw/zinc/49/42/11/483494211.db2.gz	XXKJKKXTDRYBLT-UHFFFAOYSA-N	0	0	371.459	-0.090	40	0		FBABRN
Cn1cc(CN2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cn1	ZINC000022288925	220382207	/nfs/dbraw/zinc/38/22/07/220382207.db2.gz	UQVQGWYBXPSNQI-UHFFFAOYSA-N	0	0	369.491	-0.264	40	0		FBABRN
CS(=O)(=O)N1C[C@@H](C(=O)NCCN2CCOCC2)Oc2ccccc21	ZINC000022512257	483494951	/nfs/dbraw/zinc/49/49/51/483494951.db2.gz	QJVCJSGFSLJUSM-HNNXBMFYSA-N	0	0	369.443	-0.338	40	0		FBABRN
CS(=O)(=O)N1C[C@H](C(=O)NCCN2CCOCC2)Oc2ccccc21	ZINC000022512262	483495161	/nfs/dbraw/zinc/49/51/61/483495161.db2.gz	QJVCJSGFSLJUSM-OAHLLOKOSA-N	0	0	369.443	-0.338	40	0		FBABRN
COC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1	ZINC000022529361	483494288	/nfs/dbraw/zinc/49/42/88/483494288.db2.gz	JSICHYROGIBDLL-CYBMUJFWSA-N	0	0	361.464	-0.084	40	0		FBABRN
COC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1	ZINC000022529368	483495939	/nfs/dbraw/zinc/49/59/39/483495939.db2.gz	JSICHYROGIBDLL-ZDUSSCGKSA-N	0	0	361.464	-0.084	40	0		FBABRN
Cn1c2ncn(CN3CCN(C(=O)c4ccco4)CC3)c2c(=O)n(C)c1=O	ZINC000022608621	209687271	/nfs/dbraw/zinc/68/72/71/209687271.db2.gz	JGIBLFRCVXMFPP-UHFFFAOYSA-N	0	0	372.385	-0.558	40	0		FBABRN
CNS(=O)(=O)c1ccc(CCC(=O)NCCN2CCOCC2)cc1	ZINC000022690080	484406591	/nfs/dbraw/zinc/40/65/91/484406591.db2.gz	HBMFTFZRAOEBFS-UHFFFAOYSA-N	0	0	355.460	-0.024	40	0		FBABRN
CN1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NC(=O)Nc3ccccc3)[C@@H]2O)CC1	ZINC000022922179	483448025	/nfs/dbraw/zinc/44/80/25/483448025.db2.gz	HJPAFNJQTKQYOL-OVYGPGRDSA-N	0	0	362.430	-0.091	40	0	biogenic,in-vitro	FBABRN
COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2csnn2)N1C	ZINC000022922540	483448619	/nfs/dbraw/zinc/44/86/19/483448619.db2.gz	DMVIXYKZFOJQIQ-SCRDCRAPSA-N	0	0	353.448	-0.136	40	0	biogenic,in-vitro	FBABRN
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H]1CNCCN1C(C)=O	ZINC000025425825	484256457	/nfs/dbraw/zinc/25/64/57/484256457.db2.gz	DLGHRSUGKBSCEM-HOTGVXAUSA-N	0	0	363.414	-0.284	40	0	biogenic,in-vitro	FBABRN
CCNC(=O)c1cc(S(=O)(=O)N2CCN(C=O)CC2)ccc1OC	ZINC000026112166	484407232	/nfs/dbraw/zinc/40/72/32/484407232.db2.gz	VNJBSLXGONHOQI-UHFFFAOYSA-N	0	0	355.416	-0.092	40	0		FBABRN
CCS(=O)(=O)N1C[C@@H](C(=O)N2CCN(C=O)CC2)Oc2ccccc21	ZINC000026112935	483885851	/nfs/dbraw/zinc/88/58/51/483885851.db2.gz	VWGXHTXSRPLFEZ-HNNXBMFYSA-N	0	0	367.427	-0.096	40	0		FBABRN
CCS(=O)(=O)N1C[C@H](C(=O)N2CCN(C=O)CC2)Oc2ccccc21	ZINC000026112938	484406672	/nfs/dbraw/zinc/40/66/72/484406672.db2.gz	VWGXHTXSRPLFEZ-OAHLLOKOSA-N	0	0	367.427	-0.096	40	0		FBABRN
COc1ccccc1N(CC(=O)NCCN1CCOCC1)S(C)(=O)=O	ZINC000026456037	483886864	/nfs/dbraw/zinc/88/68/64/483886864.db2.gz	PXXRZSWMECZICA-UHFFFAOYSA-N	0	0	371.459	-0.090	40	0		FBABRN
Cc1ccc(S(=O)(=O)NCCNC(=O)CCN2C(=O)CCC2=O)cc1	ZINC000026670430	483502538	/nfs/dbraw/zinc/50/25/38/483502538.db2.gz	NCVDZDUFXDTYOF-UHFFFAOYSA-N	0	0	367.427	-0.071	40	0		FBABRN
O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O)c1ccccc1	ZINC000026892584	483503877	/nfs/dbraw/zinc/50/38/77/483503877.db2.gz	NZDWTKFDAUOODA-HTWFXAOOSA-N	0	0	371.353	-0.310	40	0		FBABRN
O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1	ZINC000027562853	210164019	/nfs/dbraw/zinc/16/40/19/210164019.db2.gz	NZDWTKFDAUOODA-MMPOEDRJSA-N	0	0	371.353	-0.310	40	0		FBABRN
Nc1nc(SC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000028294102	483892634	/nfs/dbraw/zinc/89/26/34/483892634.db2.gz	SPWIAQOXCBPCJS-FULWYAMNSA-N	0	0	367.309	-0.368	40	0		FBABRN
Nc1nc(SC(F)(F)F)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000028294104	483892359	/nfs/dbraw/zinc/89/23/59/483892359.db2.gz	SPWIAQOXCBPCJS-HFXAWCPLSA-N	0	0	367.309	-0.368	40	0		FBABRN
CC(C)(C)C(=O)OC[C@@H]1O[C@@H](n2cnc3c2nc[nH]c3=O)[C@@H](O)[C@@H]1O	ZINC000030835859	483894110	/nfs/dbraw/zinc/89/41/10/483894110.db2.gz	KLHDQKZATPWXHO-ZLGIUQBVSA-N	0	0	352.347	-0.672	40	0		FBABRN
CC(C)(C)C(=O)OC[C@H]1O[C@@H](n2cnc3c2nc[nH]c3=O)[C@@H](O)[C@@H]1O	ZINC000030835862	483894018	/nfs/dbraw/zinc/89/40/18/483894018.db2.gz	KLHDQKZATPWXHO-SQFXPHBZSA-N	0	0	352.347	-0.672	40	0		FBABRN
OCCN1CCN(c2cc(Cl)nc(N3CCN(CCO)CC3)n2)CC1	ZINC000031937728	483550832	/nfs/dbraw/zinc/55/08/32/483550832.db2.gz	YOBPZQKKOVTXEJ-UHFFFAOYSA-N	0	0	370.885	-0.641	40	0		FBABRN
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1n1c(=O)oc2ccc(C)cc21	ZINC000032594450	483896366	/nfs/dbraw/zinc/89/63/66/483896366.db2.gz	YZGVFYNTQKWRCO-QMIVOQANSA-N	0	0	352.343	-0.981	40	0		FBABRN
CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1n1c(=O)oc2ccc(C)cc21	ZINC000032594451	483896433	/nfs/dbraw/zinc/89/64/33/483896433.db2.gz	YZGVFYNTQKWRCO-FQKPHLNHSA-N	0	0	352.343	-0.981	40	0		FBABRN
CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1n1c(=O)oc2ccc(C)cc21	ZINC000032594452	483896313	/nfs/dbraw/zinc/89/63/13/483896313.db2.gz	YZGVFYNTQKWRCO-MRLBHPIUSA-N	0	0	352.343	-0.981	40	0		FBABRN
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1n1c(=O)oc2ccc(C)cc21	ZINC000032594453	483896387	/nfs/dbraw/zinc/89/63/87/483896387.db2.gz	YZGVFYNTQKWRCO-QTVXIADOSA-N	0	0	352.343	-0.981	40	0		FBABRN
CC(C)NC(=O)CCn1c2nn(CC(N)=O)c(=O)n2c2ccccc2c1=O	ZINC000033291910	483397461	/nfs/dbraw/zinc/39/74/61/483397461.db2.gz	ZGURDRUFVPVWBE-UHFFFAOYSA-N	0	0	372.385	-0.789	40	0		FBABRN
CO[C@@]1(C)O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2O1	ZINC000033358939	483570227	/nfs/dbraw/zinc/57/02/27/483570227.db2.gz	AUVGRVGPAIFPSA-YXJLRHLOSA-N	0	0	362.331	-0.127	40	0	in-vitro	FBABRN
CO[C@]1(C)O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2O1	ZINC000033358940	483570375	/nfs/dbraw/zinc/57/03/75/483570375.db2.gz	AUVGRVGPAIFPSA-FSKVPOERSA-N	0	0	362.331	-0.127	40	0	in-vitro	FBABRN
COC(=O)C1=CCC[C@H]2N(C)[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@@]12C(=O)OC	ZINC000033694803	483896827	/nfs/dbraw/zinc/89/68/27/483896827.db2.gz	HXIKNGGLCLLRDT-UZTWBRENSA-N	0	0	369.370	-0.316	40	0		FBABRN
COC(=O)C1=CCC[C@@H]2N(C)[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@@]12C(=O)OC	ZINC000033694804	483897105	/nfs/dbraw/zinc/89/71/05/483897105.db2.gz	HXIKNGGLCLLRDT-KVFJLYFUSA-N	0	0	369.370	-0.316	40	0		FBABRN
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CSc1nncn1N	ZINC000033757598	483897816	/nfs/dbraw/zinc/89/78/16/483897816.db2.gz	PTBCNIATGBXGIG-LLVKDONJSA-N	0	0	351.388	-0.310	40	0		FBABRN
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSc1nncn1N	ZINC000033757599	483897765	/nfs/dbraw/zinc/89/77/65/483897765.db2.gz	PTBCNIATGBXGIG-NSHDSACASA-N	0	0	351.388	-0.310	40	0		FBABRN
COCCCN1C[C@H](O)c2cc(S(N)(=O)=O)sc2S1(=O)=O	ZINC000034499871	571147504	/nfs/dbraw/zinc/14/75/04/571147504.db2.gz	UHIWBQIWXWWDKT-QMMMGPOBSA-N	0	0	356.447	-0.530	40	0		FBABRN
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1n1c(=O)oc2ccc(C)cc21	ZINC000035052856	208116478	/nfs/dbraw/zinc/11/64/78/208116478.db2.gz	YZGVFYNTQKWRCO-RMEBNNNOSA-N	0	0	352.343	-0.981	40	0		FBABRN
CC(=O)N[C@@H]1[C@H](n2c(=O)oc3ccc(C)cc32)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000035052858	208116437	/nfs/dbraw/zinc/11/64/37/208116437.db2.gz	YZGVFYNTQKWRCO-SBJFKYEJSA-N	0	0	352.343	-0.981	40	0		FBABRN
Nc1nc(SC(F)(F)F)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000035074915	204020372	/nfs/dbraw/zinc/02/03/72/204020372.db2.gz	SPWIAQOXCBPCJS-PXMDKTAGSA-N	0	0	367.309	-0.368	40	0		FBABRN
Nc1nc(SC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000035074916	206897116	/nfs/dbraw/zinc/89/71/16/206897116.db2.gz	SPWIAQOXCBPCJS-HAVMAKPUSA-N	0	0	367.309	-0.368	40	0		FBABRN
CCOC(=O)N1CCN(S(=O)(=O)c2nnc(NC(C)=O)s2)CC1	ZINC000036182695	483582398	/nfs/dbraw/zinc/58/23/98/483582398.db2.gz	LILZQRQHWDMCNL-UHFFFAOYSA-N	0	0	363.421	-0.041	40	0		FBABRN
Cc1cc(C(=O)NCCNS(=O)(=O)c2c(C)nn(C)c2C)nn1C	ZINC000036617316	483474091	/nfs/dbraw/zinc/47/40/91/483474091.db2.gz	LPAPMIIVOVLZQB-UHFFFAOYSA-N	0	0	354.436	-0.213	40	0		FBABRN
COc1ccc(N2C(=O)C[C@H](N3CCN(CCO)CC3)C2=O)c(OC)c1	ZINC000036634075	205018919	/nfs/dbraw/zinc/01/89/19/205018919.db2.gz	SNTLUFJEEVLWSK-HNNXBMFYSA-N	0	0	363.414	-0.054	40	0		FBABRN
CC(C)(C)C(=O)OC[C@H]1O[C@@H](n2cnc3c2nc[nH]c3=O)[C@@H](O)[C@H]1O	ZINC000036644242	208170124	/nfs/dbraw/zinc/17/01/24/208170124.db2.gz	KLHDQKZATPWXHO-ZRPKBAQZSA-N	0	0	352.347	-0.672	40	0		FBABRN
CC(C)(C)C(=O)OC[C@@H]1O[C@@H](n2cnc3c2nc[nH]c3=O)[C@@H](O)[C@H]1O	ZINC000036644243	483583263	/nfs/dbraw/zinc/58/32/63/483583263.db2.gz	KLHDQKZATPWXHO-OEINEHKASA-N	0	0	352.347	-0.672	40	0		FBABRN
CC(C)(C)n1nnnc1CN1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1	ZINC000036734937	483585192	/nfs/dbraw/zinc/58/51/92/483585192.db2.gz	LLJNUFFEZHQRDA-UHFFFAOYSA-N	0	0	374.449	-0.094	40	0		FBABRN
CS(=O)(=O)N1C[C@H](C(=O)N2CCC(C(N)=O)CC2)Oc2ccccc21	ZINC000038854092	483600137	/nfs/dbraw/zinc/60/01/37/483600137.db2.gz	TTZALLWUWZEEQQ-CQSZACIVSA-N	0	0	367.427	-0.063	40	0		FBABRN
CS(=O)(=O)N1C[C@@H](C(=O)N2CCC(C(N)=O)CC2)Oc2ccccc21	ZINC000038854095	483599106	/nfs/dbraw/zinc/59/91/06/483599106.db2.gz	TTZALLWUWZEEQQ-AWEZNQCLSA-N	0	0	367.427	-0.063	40	0		FBABRN
CC(C)NC(=O)Cn1nc(C2CCN(S(C)(=O)=O)CC2)n(C)c1=O	ZINC000038901045	484590932	/nfs/dbraw/zinc/59/09/32/484590932.db2.gz	IDNHGRBHJSNBFR-UHFFFAOYSA-N	0	0	359.452	-0.755	40	0		FBABRN
CC(=O)NC12CC3(NC(C)=O)CC(NC(C)=O)(C1)CC(NC(C)=O)(C2)C3	ZINC000039254888	211706085	/nfs/dbraw/zinc/70/60/85/211706085.db2.gz	MHQANJIDWLYCOD-UHFFFAOYSA-N	0	0	364.446	-0.133	40	0		FBABRN
CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000039814938	483891587	/nfs/dbraw/zinc/89/15/87/483891587.db2.gz	LNJLOZYNZFGJMM-CABNGKKXSA-N	0	0	365.434	-0.114	40	0		FBABRN
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](CO)O[C@@H]1OCc1ccccc1	ZINC000039944633	483504471	/nfs/dbraw/zinc/50/44/71/483504471.db2.gz	RMUZLVNNQAJVHA-NNXHMXCWSA-N	0	0	353.371	-0.282	40	0		FBABRN
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](CO)O[C@@H]1OCc1ccccc1	ZINC000039944634	483504493	/nfs/dbraw/zinc/50/44/93/483504493.db2.gz	RMUZLVNNQAJVHA-VIQHNZTISA-N	0	0	353.371	-0.282	40	0		FBABRN
O=CN1CCN(CC(=O)N2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)CC1	ZINC000040386195	483605823	/nfs/dbraw/zinc/60/58/23/483605823.db2.gz	LQPIRPHFWPEALS-MRXNPFEDSA-N	0	0	370.409	-0.062	40	0		FBABRN
O=CN1CCN(CC(=O)N2c3ccccc3C(=O)N3CCC[C@H]3C2=O)CC1	ZINC000040386196	205068360	/nfs/dbraw/zinc/06/83/60/205068360.db2.gz	LQPIRPHFWPEALS-INIZCTEOSA-N	0	0	370.409	-0.062	40	0		FBABRN
CS(=O)(=O)N1C[C@H](C(=O)N2CCN(C=O)CC2)Oc2ccccc21	ZINC000044884533	136121817	/nfs/dbraw/zinc/12/18/17/136121817.db2.gz	ULPCRAVBWSUZBZ-CQSZACIVSA-N	0	0	353.400	-0.486	40	0		FBABRN
CS(=O)(=O)N1C[C@@H](C(=O)N2CCN(C=O)CC2)Oc2ccccc21	ZINC000044884536	136121780	/nfs/dbraw/zinc/12/17/80/136121780.db2.gz	ULPCRAVBWSUZBZ-AWEZNQCLSA-N	0	0	353.400	-0.486	40	0		FBABRN
CS(=O)(=O)N1CCN(c2ccc(N3C[C@H](C(N)=O)CC3=O)cc2)CC1	ZINC000045958028	132375355	/nfs/dbraw/zinc/37/53/55/132375355.db2.gz	XLAKUYDCUMIZBK-GFCCVEGCSA-N	0	0	366.443	-0.394	40	0		FBABRN
CS(=O)(=O)N1CCN(c2ccc(N3C[C@@H](C(N)=O)CC3=O)cc2)CC1	ZINC000045958030	132375351	/nfs/dbraw/zinc/37/53/51/132375351.db2.gz	XLAKUYDCUMIZBK-LBPRGKRZSA-N	0	0	366.443	-0.394	40	0		FBABRN
CNS(=O)(=O)c1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1	ZINC000047081148	484407039	/nfs/dbraw/zinc/40/70/39/484407039.db2.gz	QMHOHBQMGYQLDF-UHFFFAOYSA-N	0	0	352.372	-0.059	40	0		FBABRN
CO[C@H]1O[C@H]2COc3ccccc3O[C@@H]2[C@@H](NC(N)=N[N+](=O)[O-])[C@H]1O	ZINC000050446516	205177775	/nfs/dbraw/zinc/17/77/75/205177775.db2.gz	ZYGSWSNTVJJTQY-WJTVCTBASA-N	0	0	354.319	-0.767	40	0		FBABRN
COc1cc(S(=O)(=O)NC(CO)(CO)CO)c(OC)cc1Cl	ZINC000054363396	205200518	/nfs/dbraw/zinc/20/05/18/205200518.db2.gz	UIMDGJOWJBUMMU-UHFFFAOYSA-N	0	0	355.796	-0.649	40	0		FBABRN
COc1ccc(Br)cc1S(=O)(=O)NC(CO)(CO)CO	ZINC000054363397	206336137	/nfs/dbraw/zinc/33/61/37/206336137.db2.gz	JSRMWBAXRBSNCW-UHFFFAOYSA-N	0	0	370.221	-0.548	40	0		FBABRN
CS(=O)(=O)N1CCN(c2ccccc2N2C[C@H](C(N)=O)CC2=O)CC1	ZINC000057327873	132376280	/nfs/dbraw/zinc/37/62/80/132376280.db2.gz	JYTQSKVOZNDOIW-GFCCVEGCSA-N	0	0	366.443	-0.394	40	0		FBABRN
CS(=O)(=O)N1CCN(c2ccccc2N2C[C@@H](C(N)=O)CC2=O)CC1	ZINC000057327875	132376250	/nfs/dbraw/zinc/37/62/50/132376250.db2.gz	JYTQSKVOZNDOIW-LBPRGKRZSA-N	0	0	366.443	-0.394	40	0		FBABRN
NC(=O)C[C@@H](N)C(=O)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1	ZINC000057773679	205244963	/nfs/dbraw/zinc/24/49/63/205244963.db2.gz	SJRZIKKNMXFSSN-CQSZACIVSA-N	0	0	372.429	-0.654	40	0		FBABRN
NC(=O)C[C@H](N)C(=O)NC1CCN(C(=O)Cn2ccc3ccncc32)CC1	ZINC000057773682	205243866	/nfs/dbraw/zinc/24/38/66/205243866.db2.gz	SJRZIKKNMXFSSN-AWEZNQCLSA-N	0	0	372.429	-0.654	40	0		FBABRN
Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(=O)N3Cc1ccc2c(c1)OCO2	ZINC000059596797	263422173	/nfs/dbraw/zinc/42/21/73/263422173.db2.gz	WZWYAAUJVQZXKG-UHFFFAOYSA-N	0	0	369.337	-0.291	40	0		FBABRN
COc1ccc(S(=O)(=O)NCC(=O)N2CCN(C)CC2)cc1OC	ZINC000062161614	243117084	/nfs/dbraw/zinc/11/70/84/243117084.db2.gz	QRRUHWHNPJQGAN-UHFFFAOYSA-N	0	0	357.432	-0.244	40	0		FBABRN
CC(=O)N[C@H]1[C@@H](Oc2ccc3oc(=O)sc3c2)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000062725218	484623356	/nfs/dbraw/zinc/62/33/56/484623356.db2.gz	ZRBWAQDAEXPMLS-OMRNGCIESA-N	0	0	371.367	-0.823	40	0		FBABRN
CC(=O)N[C@@H]1[C@@H](Oc2ccc3oc(=O)sc3c2)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000062725220	484622630	/nfs/dbraw/zinc/62/26/30/484622630.db2.gz	ZRBWAQDAEXPMLS-HNGSFYKJSA-N	0	0	371.367	-0.823	40	0		FBABRN
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc2oc(=O)sc2c1	ZINC000062725221	484623114	/nfs/dbraw/zinc/62/31/14/484623114.db2.gz	ZRBWAQDAEXPMLS-RBQFQAMWSA-N	0	0	371.367	-0.823	40	0		FBABRN
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc2oc(=O)sc2c1	ZINC000062725223	484623445	/nfs/dbraw/zinc/62/34/45/484623445.db2.gz	ZRBWAQDAEXPMLS-RORMEEMCSA-N	0	0	371.367	-0.823	40	0		FBABRN
NS(=O)(=O)c1ccc(Nc2nc(OCCO)nc(OCCO)n2)cc1	ZINC000071257452	571160375	/nfs/dbraw/zinc/16/03/75/571160375.db2.gz	ZDFOXKOJZJINFC-UHFFFAOYSA-N	0	0	371.375	-0.995	40	0		FBABRN
CC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1	ZINC000072320493	483589569	/nfs/dbraw/zinc/58/95/69/483589569.db2.gz	QXRDTLAXUJONPD-AJODNWIUSA-N	0	0	368.338	-0.681	40	0	biogenic,in-vitro	FBABRN
CC(=O)O[C@H]1[C@H](O)[C@H](CO)O[C@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1	ZINC000072320494	205031285	/nfs/dbraw/zinc/03/12/85/205031285.db2.gz	QXRDTLAXUJONPD-WWODFVNESA-N	0	0	368.338	-0.681	40	0	biogenic,in-vitro	FBABRN
CC(=O)O[C@H]1[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)O[C@@H](CO)[C@@H]1O	ZINC000072320495	208185666	/nfs/dbraw/zinc/18/56/66/208185666.db2.gz	QXRDTLAXUJONPD-CRFNQXHISA-N	0	0	368.338	-0.681	40	0	biogenic,in-vitro	FBABRN
CC(=O)O[C@@H]1[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)O[C@@H](CO)[C@@H]1O	ZINC000072320496	483589413	/nfs/dbraw/zinc/58/94/13/483589413.db2.gz	QXRDTLAXUJONPD-NDQSORACSA-N	0	0	368.338	-0.681	40	0	biogenic,in-vitro	FBABRN
COCC(=O)N[C@@H]1[C@@H](c2ccc(N3CCOCC3)nc2)C[C@@H](O)[C@H]1O	ZINC000072321838	136144208	/nfs/dbraw/zinc/14/42/08/136144208.db2.gz	JRABCKKBFXHJNA-BQGCOEIASA-N	0	0	351.403	-0.742	40	0	biogenic,in-vitro	FBABRN
COCCNC(=O)c1cn(C[C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)nn1	ZINC000072324227	571178748	/nfs/dbraw/zinc/17/87/48/571178748.db2.gz	JLOYAGNUUFSSMA-GFCCVEGCSA-N	0	0	361.406	-0.070	40	0		FBABRN
O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)N1CCOCC1	ZINC000072326261	571178604	/nfs/dbraw/zinc/17/86/04/571178604.db2.gz	CQAQGHFFJZYTMB-SFHVURJKSA-N	0	0	373.413	-0.196	40	0		FBABRN
O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)N1CCOCC1	ZINC000072326263	571178636	/nfs/dbraw/zinc/17/86/36/571178636.db2.gz	CQAQGHFFJZYTMB-GOSISDBHSA-N	0	0	373.413	-0.196	40	0		FBABRN
CCn1cc([C@@H]2C[C@H](C(=O)N3CCOCC3)N(C)S(=O)(=O)N2)c(C)n1	ZINC000072335017	221470418	/nfs/dbraw/zinc/47/04/18/221470418.db2.gz	ZHHKDHQPUYSINS-UONOGXRCSA-N	0	0	371.463	-0.350	40	0		FBABRN
CCn1cc([C@H]2C[C@H](C(=O)N3CCOCC3)N(C)S(=O)(=O)N2)c(C)n1	ZINC000072335018	221469728	/nfs/dbraw/zinc/46/97/28/221469728.db2.gz	ZHHKDHQPUYSINS-ZIAGYGMSSA-N	0	0	371.463	-0.350	40	0		FBABRN
CCn1cc([C@@H]2C[C@@H](C(=O)N3CCOCC3)N(C)S(=O)(=O)N2)c(C)n1	ZINC000072335019	571179024	/nfs/dbraw/zinc/17/90/24/571179024.db2.gz	ZHHKDHQPUYSINS-KBPBESRZSA-N	0	0	371.463	-0.350	40	0		FBABRN
CCn1cc([C@H]2C[C@@H](C(=O)N3CCOCC3)N(C)S(=O)(=O)N2)c(C)n1	ZINC000072335020	205511375	/nfs/dbraw/zinc/51/13/75/205511375.db2.gz	ZHHKDHQPUYSINS-KGLIPLIRSA-N	0	0	371.463	-0.350	40	0		FBABRN
CCn1cc([C@@H]2C[C@H](C(=O)N[C@@H](C)COC)N(C)S(=O)(=O)N2)c(C)n1	ZINC000072335037	571178917	/nfs/dbraw/zinc/17/89/17/571178917.db2.gz	CNZNDSBZISSTHZ-LEWSCRJBSA-N	0	0	373.479	-0.058	40	0		FBABRN
CCn1cc([C@H]2C[C@H](C(=O)N[C@@H](C)COC)N(C)S(=O)(=O)N2)c(C)n1	ZINC000072335038	571178978	/nfs/dbraw/zinc/17/89/78/571178978.db2.gz	CNZNDSBZISSTHZ-ZLKJLUDKSA-N	0	0	373.479	-0.058	40	0		FBABRN
CCn1cc([C@@H]2C[C@@H](C(=O)N[C@@H](C)COC)N(C)S(=O)(=O)N2)c(C)n1	ZINC000072335039	571178969	/nfs/dbraw/zinc/17/89/69/571178969.db2.gz	CNZNDSBZISSTHZ-BPNCWPANSA-N	0	0	373.479	-0.058	40	0		FBABRN
CCn1cc([C@H]2C[C@@H](C(=O)N[C@@H](C)COC)N(C)S(=O)(=O)N2)c(C)n1	ZINC000072335040	208834790	/nfs/dbraw/zinc/83/47/90/208834790.db2.gz	CNZNDSBZISSTHZ-GDLCADMTSA-N	0	0	373.479	-0.058	40	0		FBABRN
Cc1nn(C)cc1[C@H]1C[C@H](C(=O)NC[C@@H]2CCCO2)N(C)S(=O)(=O)N1	ZINC000072335155	208835828	/nfs/dbraw/zinc/83/58/28/208835828.db2.gz	OANNNRJGSWFHIL-IACUBPJLSA-N	0	0	371.463	-0.397	40	0		FBABRN
Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCO2)N(C)S(=O)(=O)N1	ZINC000072335156	571178867	/nfs/dbraw/zinc/17/88/67/571178867.db2.gz	OANNNRJGSWFHIL-YUTCNCBUSA-N	0	0	371.463	-0.397	40	0		FBABRN
COC[C@H](C)NC(=O)[C@H]1C[C@H](c2cn(C)nc2C)NS(=O)(=O)N1C	ZINC000072335189	571178919	/nfs/dbraw/zinc/17/89/19/571178919.db2.gz	BQALVVZJLOMHLX-ZWKOPEQDSA-N	0	0	359.452	-0.541	40	0		FBABRN
COC[C@H](C)NC(=O)[C@@H]1C[C@H](c2cn(C)nc2C)NS(=O)(=O)N1C	ZINC000072335190	571178894	/nfs/dbraw/zinc/17/88/94/571178894.db2.gz	BQALVVZJLOMHLX-BIMULSAOSA-N	0	0	359.452	-0.541	40	0		FBABRN
Cc1nn(C)cc1[C@H]1C[C@H](C(=O)NC(C)(C)CO)N(C)S(=O)(=O)N1	ZINC000072335205	571178906	/nfs/dbraw/zinc/17/89/06/571178906.db2.gz	BQJFXSGLCIJFCN-VXGBXAGGSA-N	0	0	359.452	-0.805	40	0		FBABRN
Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)NC(C)(C)CO)N(C)S(=O)(=O)N1	ZINC000072335206	571178899	/nfs/dbraw/zinc/17/88/99/571178899.db2.gz	BQJFXSGLCIJFCN-NEPJUHHUSA-N	0	0	359.452	-0.805	40	0		FBABRN
Cc1ccc(=O)n(CC(=O)NCCn2nnn(-c3cccs3)c2=O)n1	ZINC000072341058	571179443	/nfs/dbraw/zinc/17/94/43/571179443.db2.gz	BNCUPNXHRLKXNS-UHFFFAOYSA-N	0	0	361.387	-0.828	40	0		FBABRN
CN(C)S(=O)(=O)N1CCC[C@H](n2nnn(-c3ccccc3)c2=O)C1	ZINC000072341975	571179393	/nfs/dbraw/zinc/17/93/93/571179393.db2.gz	XDAXGYVTEPCPNS-ZDUSSCGKSA-N	0	0	352.420	-0.128	40	0		FBABRN
CN(C)S(=O)(=O)N1CCC[C@@H](n2nnn(-c3ccccc3)c2=O)C1	ZINC000072341976	571179404	/nfs/dbraw/zinc/17/94/04/571179404.db2.gz	XDAXGYVTEPCPNS-CYBMUJFWSA-N	0	0	352.420	-0.128	40	0		FBABRN
O=C(Cn1nnc2ccccc2c1=O)NCCn1c(=O)oc2cccnc21	ZINC000072343071	571179782	/nfs/dbraw/zinc/17/97/82/571179782.db2.gz	IUTLMAQENLXHTN-UHFFFAOYSA-N	0	0	366.337	-0.089	40	0		FBABRN
O=C(CN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCn2c(CO)nnc2C1	ZINC000072347144	571179986	/nfs/dbraw/zinc/17/99/86/571179986.db2.gz	HATDKLDOSREPPE-ANGCBRKESA-N	0	0	359.386	-0.856	40	0		FBABRN
CCS(=O)(=O)N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1	ZINC000072348174	136144934	/nfs/dbraw/zinc/14/49/34/136144934.db2.gz	ZOMDUDSQLANMES-UHFFFAOYSA-N	0	0	355.464	-0.220	40	0		FBABRN
CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCN(CC(=O)N2CCOCC2)C1	ZINC000072369544	571184663	/nfs/dbraw/zinc/18/46/63/571184663.db2.gz	GXUVHUNSDRISFI-GFCCVEGCSA-N	0	0	356.448	-0.149	40	0		FBABRN
CS(=O)(=O)c1c[nH]nc1[C@H]1CCCN(CC(=O)N2CCOCC2)C1	ZINC000072369545	571184798	/nfs/dbraw/zinc/18/47/98/571184798.db2.gz	GXUVHUNSDRISFI-LBPRGKRZSA-N	0	0	356.448	-0.149	40	0		FBABRN
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCOCC1)c1cccc(F)c1	ZINC000077261620	484597646	/nfs/dbraw/zinc/59/76/46/484597646.db2.gz	GSRULIXTGFTMMI-FXUDXRNXSA-N	0	0	354.378	-0.623	40	0	biogenic,in-vitro	FBABRN
O=C(N[C@@H]1[C@@H](c2ccc(N3CCOCC3)nc2)C[C@@H](O)[C@H]1O)c1ccno1	ZINC000077261840	132179338	/nfs/dbraw/zinc/17/93/38/132179338.db2.gz	AYKWTFRMWZTXJY-BQGCOEIASA-N	0	0	374.397	-0.086	40	0	biogenic,in-vitro	FBABRN
O=C(NC[C@H]1OC[C@@H](N(Cc2ncc[nH]2)Cc2ncc[nH]2)[C@@H]1O)C1CC1	ZINC000077263661	484597996	/nfs/dbraw/zinc/59/79/96/484597996.db2.gz	QXBCYSAXQDNYIY-IOASZLSFSA-N	0	0	360.418	-0.211	40	0	biogenic,in-vitro	FBABRN
COCC(=O)NC[C@H]1OC[C@@H](N(Cc2ncc[nH]2)Cc2ncc[nH]2)[C@@H]1O	ZINC000077263717	484597865	/nfs/dbraw/zinc/59/78/65/484597865.db2.gz	GRTAGZSLLKOOAG-HSMVNMDESA-N	0	0	364.406	-0.974	40	0	biogenic,in-vitro	FBABRN
Cn1ccnc1CN[C@@H]1CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O	ZINC000077264670	205038917	/nfs/dbraw/zinc/03/89/17/205038917.db2.gz	ZBUCOYFHIQPDIJ-FMKPAKJESA-N	0	0	366.443	-0.384	40	0	biogenic,in-vitro	FBABRN
O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)c1ccccc1	ZINC000080484927	208943924	/nfs/dbraw/zinc/94/39/24/208943924.db2.gz	NZDWTKFDAUOODA-HWAANXBSSA-N	0	0	371.353	-0.310	40	0		FBABRN
O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O)c1ccccc1	ZINC000080484928	484779988	/nfs/dbraw/zinc/77/99/88/484779988.db2.gz	NZDWTKFDAUOODA-FIHUPRISSA-N	0	0	371.353	-0.310	40	0		FBABRN
Cc1cc(=O)oc2c(F)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(F)cc12	ZINC000083429636	526145095	/nfs/dbraw/zinc/14/50/95/526145095.db2.gz	JZLOUZMEHMDFKY-ADPZIVFVSA-N	0	0	374.292	-0.442	40	0		FBABRN
Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCN(S(C)(=O)=O)CC1)CS2	ZINC000090609613	484575658	/nfs/dbraw/zinc/57/56/58/484575658.db2.gz	MSXJLDLUASFIRB-NSHDSACASA-N	0	0	372.472	-0.623	40	0		FBABRN
Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)CS2	ZINC000090609615	484576161	/nfs/dbraw/zinc/57/61/61/484576161.db2.gz	MSXJLDLUASFIRB-LLVKDONJSA-N	0	0	372.472	-0.623	40	0		FBABRN
CC(=O)O[C@]1(c2ccccc2F)N=Cc2cc(NC=O)c(=O)n(C)c2N1	ZINC000094568755	221841959	/nfs/dbraw/zinc/84/19/59/221841959.db2.gz	GSFYTWFSDIRHLO-QGZVFWFLSA-N	0	0	358.329	-0.573	40	0		FBABRN
CC(=O)O[C@@]1(c2ccccc2F)N=Cc2cc(NC=O)c(=O)n(C)c2N1	ZINC000094568756	483820157	/nfs/dbraw/zinc/82/01/57/483820157.db2.gz	GSFYTWFSDIRHLO-KRWDZBQOSA-N	0	0	358.329	-0.573	40	0		FBABRN
C[C@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12	ZINC000095845640	221972590	/nfs/dbraw/zinc/97/25/90/221972590.db2.gz	MRMBZHPJVKCOMA-YKDSUIRESA-O	0	0	351.408	-0.560	40	0		FBABRN
COc1ccc(/C=C/[N+](=O)[O-])cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000095921461	209086066	/nfs/dbraw/zinc/08/60/66/209086066.db2.gz	ORWGFRNUGSRRBP-HTTKMGQHSA-N	0	0	357.315	-0.879	40	0		FBABRN
COc1ccc(/C=C/[N+](=O)[O-])cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000095921462	483823778	/nfs/dbraw/zinc/82/37/78/483823778.db2.gz	ORWGFRNUGSRRBP-OBZUZTNLSA-N	0	0	357.315	-0.879	40	0		FBABRN
CC(=O)OC[C@H]1O[C@@H](N2CCCCC2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000095921521	483823821	/nfs/dbraw/zinc/82/38/21/483823821.db2.gz	BRDQWGWKVQRHOR-WRQOLXDDSA-N	0	0	373.402	-0.015	40	0		FBABRN
CC(C)NC(=O)N1CCN(C(=O)c2cnccn2)C[C@@]2(CNC(=O)C2)C1	ZINC000096036012	209096598	/nfs/dbraw/zinc/09/65/98/209096598.db2.gz	QAEWFRHFBRMPAG-QGZVFWFLSA-N	0	0	360.418	-0.141	40	0		FBABRN
CC(C)NC(=O)N1CCN(C(=O)c2cnccn2)C[C@]2(CNC(=O)C2)C1	ZINC000096036013	205804359	/nfs/dbraw/zinc/80/43/59/205804359.db2.gz	QAEWFRHFBRMPAG-KRWDZBQOSA-N	0	0	360.418	-0.141	40	0		FBABRN
CC(C)NC(=O)N1CCN(S(=O)(=O)C2CC2)C[C@@]2(CNC(=O)C2)C1	ZINC000096036026	483824730	/nfs/dbraw/zinc/82/47/30/483824730.db2.gz	HMLMDKLRBPRYBV-HNNXBMFYSA-N	0	0	358.464	-0.280	40	0		FBABRN
CC(C)NC(=O)N1CCN(S(=O)(=O)C2CC2)C[C@]2(CNC(=O)C2)C1	ZINC000096036027	205805199	/nfs/dbraw/zinc/80/51/99/205805199.db2.gz	HMLMDKLRBPRYBV-OAHLLOKOSA-N	0	0	358.464	-0.280	40	0		FBABRN
CCS(=O)(=O)N1CCN(C(=O)NC(C)C)C[C@]2(CC(=O)N(C)C2)C1	ZINC000096036122	221992795	/nfs/dbraw/zinc/99/27/95/221992795.db2.gz	JJTWGKZHGIDEPZ-OAHLLOKOSA-N	0	0	360.480	-0.080	40	0		FBABRN
CCS(=O)(=O)N1CCN(C(=O)NC(C)C)C[C@@]2(CC(=O)N(C)C2)C1	ZINC000096036123	483824749	/nfs/dbraw/zinc/82/47/49/483824749.db2.gz	JJTWGKZHGIDEPZ-HNNXBMFYSA-N	0	0	360.480	-0.080	40	0		FBABRN
CCN1C[C@@]2(CC1=O)CN(C(=O)N(C)C)CCN(S(=O)(=O)CC)C2	ZINC000096036242	221994485	/nfs/dbraw/zinc/99/44/85/221994485.db2.gz	FMISYXUXDQPGHS-HNNXBMFYSA-N	0	0	360.480	-0.126	40	0		FBABRN
CCN1C[C@]2(CC1=O)CN(C(=O)N(C)C)CCN(S(=O)(=O)CC)C2	ZINC000096036243	209096467	/nfs/dbraw/zinc/09/64/67/209096467.db2.gz	FMISYXUXDQPGHS-OAHLLOKOSA-N	0	0	360.480	-0.126	40	0		FBABRN
Cc1cnc(CNC(=O)[C@@H]2C[C@@H]3CCN(S(C)(=O)=O)C[C@H]3O2)cn1	ZINC000096043044	483824843	/nfs/dbraw/zinc/82/48/43/483824843.db2.gz	FXAPZQKURRLFEX-FPMFFAJLSA-N	0	0	354.432	-0.160	40	0		FBABRN
Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(S(C)(=O)=O)C2	ZINC000096045024	209100244	/nfs/dbraw/zinc/10/02/44/209100244.db2.gz	VQJKKHMTWLTBFX-ZDUSSCGKSA-N	0	0	358.464	-0.372	40	0		FBABRN
Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(S(C)(=O)=O)C2	ZINC000096045025	483824824	/nfs/dbraw/zinc/82/48/24/483824824.db2.gz	VQJKKHMTWLTBFX-CYBMUJFWSA-N	0	0	358.464	-0.372	40	0		FBABRN
CS(=O)(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3)CCO2)C1	ZINC000096049885	222000533	/nfs/dbraw/zinc/00/05/33/222000533.db2.gz	YFKCMFPZCFCVFO-HNNXBMFYSA-N	0	0	355.416	-0.415	40	0		FBABRN
CS(=O)(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3)CCO2)C1	ZINC000096049886	209103289	/nfs/dbraw/zinc/10/32/89/209103289.db2.gz	YFKCMFPZCFCVFO-OAHLLOKOSA-N	0	0	355.416	-0.415	40	0		FBABRN
CS(=O)(=O)N1CCOC[C@]2(CN(C(=O)c3ccccn3)CCO2)C1	ZINC000096049889	209102773	/nfs/dbraw/zinc/10/27/73/209102773.db2.gz	IBMJYGHSORBOCN-HNNXBMFYSA-N	0	0	355.416	-0.415	40	0		FBABRN
CS(=O)(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccn3)CCO2)C1	ZINC000096049890	222001609	/nfs/dbraw/zinc/00/16/09/222001609.db2.gz	IBMJYGHSORBOCN-OAHLLOKOSA-N	0	0	355.416	-0.415	40	0		FBABRN
CS(=O)(=O)N1CCOC[C@]2(CN(C(=O)C3CCOCC3)CCO2)C1	ZINC000096049895	483824713	/nfs/dbraw/zinc/82/47/13/483824713.db2.gz	ZHNPPYBRURXZOT-HNNXBMFYSA-N	0	0	362.448	-0.698	40	0		FBABRN
CS(=O)(=O)N1CCOC[C@@]2(CN(C(=O)C3CCOCC3)CCO2)C1	ZINC000096049896	483824799	/nfs/dbraw/zinc/82/47/99/483824799.db2.gz	ZHNPPYBRURXZOT-OAHLLOKOSA-N	0	0	362.448	-0.698	40	0		FBABRN
Cn1cc(N2C[C@@]3(CCN(C(=O)c4cnccn4)C3)N(C)CC2=O)cn1	ZINC000096050371	205809817	/nfs/dbraw/zinc/80/98/17/205809817.db2.gz	RFYXBTSZPFBAMB-KRWDZBQOSA-N	0	0	355.402	-0.227	40	0		FBABRN
Cn1cc(N2C[C@]3(CCN(C(=O)c4cnccn4)C3)N(C)CC2=O)cn1	ZINC000096050372	209102117	/nfs/dbraw/zinc/10/21/17/209102117.db2.gz	RFYXBTSZPFBAMB-QGZVFWFLSA-N	0	0	355.402	-0.227	40	0		FBABRN
Cn1cc(N2C[C@@]3(CCN(C(=O)c4ccnnc4)C3)N(C)CC2=O)cn1	ZINC000096050373	209102023	/nfs/dbraw/zinc/10/20/23/209102023.db2.gz	JJSLEYYVKQFQRD-KRWDZBQOSA-N	0	0	355.402	-0.227	40	0		FBABRN
Cn1cc(N2C[C@]3(CCN(C(=O)c4ccnnc4)C3)N(C)CC2=O)cn1	ZINC000096050374	222000954	/nfs/dbraw/zinc/00/09/54/222000954.db2.gz	JJSLEYYVKQFQRD-QGZVFWFLSA-N	0	0	355.402	-0.227	40	0		FBABRN
Cn1cc(N2C[C@@]3(CCN(S(=O)(=O)C4CC4)C3)N(C)CC2=O)cn1	ZINC000096050403	483824694	/nfs/dbraw/zinc/82/46/94/483824694.db2.gz	JITJRRCGEGIZDT-HNNXBMFYSA-N	0	0	353.448	-0.365	40	0		FBABRN
Cn1cc(N2C[C@]3(CCN(S(=O)(=O)C4CC4)C3)N(C)CC2=O)cn1	ZINC000096050404	483824701	/nfs/dbraw/zinc/82/47/01/483824701.db2.gz	JITJRRCGEGIZDT-OAHLLOKOSA-N	0	0	353.448	-0.365	40	0		FBABRN
CCS(=O)(=O)N1CC[C@@]2(C1)CN(c1cnn(C)c1)C(=O)CN2C(C)=O	ZINC000096050467	209102643	/nfs/dbraw/zinc/10/26/43/209102643.db2.gz	AJFBCGCFRNITJM-OAHLLOKOSA-N	0	0	369.447	-0.591	40	0		FBABRN
CCS(=O)(=O)N1CC[C@]2(C1)CN(c1cnn(C)c1)C(=O)CN2C(C)=O	ZINC000096050468	483824755	/nfs/dbraw/zinc/82/47/55/483824755.db2.gz	AJFBCGCFRNITJM-HNNXBMFYSA-N	0	0	369.447	-0.591	40	0		FBABRN
CCS(=O)(=O)N1CCOC[C@]2(CN(c3cccnc3)C(=O)CO2)C1	ZINC000096051356	132217900	/nfs/dbraw/zinc/21/79/00/132217900.db2.gz	VYNBPTVIDRCPHD-OAHLLOKOSA-N	0	0	355.416	-0.135	40	0		FBABRN
CCS(=O)(=O)N1CCOC[C@@]2(CN(c3cccnc3)C(=O)CO2)C1	ZINC000096051357	132217766	/nfs/dbraw/zinc/21/77/66/132217766.db2.gz	VYNBPTVIDRCPHD-HNNXBMFYSA-N	0	0	355.416	-0.135	40	0		FBABRN
Cn1cc(CN2CCOC[C@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)cn1	ZINC000096051424	209102150	/nfs/dbraw/zinc/10/21/50/209102150.db2.gz	MUHJCWXDQDPQPY-QGZVFWFLSA-N	0	0	360.418	-0.212	40	0		FBABRN
Cn1cc(CN2CCOC[C@@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)cn1	ZINC000096051425	222001144	/nfs/dbraw/zinc/00/11/44/222001144.db2.gz	MUHJCWXDQDPQPY-KRWDZBQOSA-N	0	0	360.418	-0.212	40	0		FBABRN
Cn1cc(N2C[C@]3(COCCN(S(=O)(=O)C4CC4)C3)OCC2=O)cn1	ZINC000096051444	483824861	/nfs/dbraw/zinc/82/48/61/483824861.db2.gz	FQUAXCURVACJTC-OAHLLOKOSA-N	0	0	370.431	-0.654	40	0		FBABRN
Cn1cc(N2C[C@@]3(COCCN(S(=O)(=O)C4CC4)C3)OCC2=O)cn1	ZINC000096051445	209102490	/nfs/dbraw/zinc/10/24/90/209102490.db2.gz	FQUAXCURVACJTC-HNNXBMFYSA-N	0	0	370.431	-0.654	40	0		FBABRN
CCS(=O)(=O)N1CCn2cc(CNC(=O)c3cnn(C)c3)nc2C1	ZINC000096059522	222006572	/nfs/dbraw/zinc/00/65/72/222006572.db2.gz	DKSCZWDFWMEGEO-UHFFFAOYSA-N	0	0	352.420	-0.288	40	0		FBABRN
Cn1cc(C(=O)NCc2cn3c(n2)CN(S(=O)(=O)C2CC2)CC3)cn1	ZINC000096059523	209104514	/nfs/dbraw/zinc/10/45/14/209104514.db2.gz	PXXHUDFBGPLYBL-UHFFFAOYSA-N	0	0	364.431	-0.146	40	0		FBABRN
O=C(c1cnccn1)N1CCCn2c(=O)cc(Cn3cncn3)nc2C1	ZINC000096059627	222008009	/nfs/dbraw/zinc/00/80/09/222008009.db2.gz	DMRDFHGXCGTCFA-UHFFFAOYSA-N	0	0	352.358	-0.281	40	0		FBABRN
O=C(c1ccnnc1)N1CCCn2c(=O)cc(Cn3cncn3)nc2C1	ZINC000096059628	222007122	/nfs/dbraw/zinc/00/71/22/222007122.db2.gz	GSBONQBNGOOLJB-UHFFFAOYSA-N	0	0	352.358	-0.281	40	0		FBABRN
COCC(=O)NCc1cc(=O)n2c(n1)CN(Cc1cnn(C)c1)CCC2	ZINC000096059639	222006977	/nfs/dbraw/zinc/00/69/77/222006977.db2.gz	NBTGXPUDGVGDIO-UHFFFAOYSA-N	0	0	360.418	-0.355	40	0		FBABRN
CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccnnc3)CC2)O1	ZINC000096062627	209106052	/nfs/dbraw/zinc/10/60/52/209106052.db2.gz	HAMWBEDWUAJIIT-ZDUSSCGKSA-N	0	0	356.386	-0.051	40	0		FBABRN
CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccnnc3)CC2)O1	ZINC000096062628	483824725	/nfs/dbraw/zinc/82/47/25/483824725.db2.gz	HAMWBEDWUAJIIT-CYBMUJFWSA-N	0	0	356.386	-0.051	40	0		FBABRN
CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3ccc(C)o3)C[C@@H]2N1S(C)(=O)=O	ZINC000096063717	222009758	/nfs/dbraw/zinc/00/97/58/222009758.db2.gz	QPWOPVHHVHDNEU-UTUOFQBUSA-N	0	0	355.416	-0.191	40	0		FBABRN
Cn1cnc(S(=O)(=O)N2CC[C@]3(CC(C(=O)NCC4CC4)=NO3)C2)c1	ZINC000096074496	209108831	/nfs/dbraw/zinc/10/88/31/209108831.db2.gz	UGQUIILYVIGHTF-HNNXBMFYSA-N	0	0	367.431	-0.144	40	0		FBABRN
Cn1cnc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)NCC4CC4)=NO3)C2)c1	ZINC000096074497	483824654	/nfs/dbraw/zinc/82/46/54/483824654.db2.gz	UGQUIILYVIGHTF-OAHLLOKOSA-N	0	0	367.431	-0.144	40	0		FBABRN
COc1cc(N2CCO[C@]3(C2)COCCN(S(C)(=O)=O)C3)ncn1	ZINC000096076887	132218438	/nfs/dbraw/zinc/21/84/38/132218438.db2.gz	YZOFVLREMUTXSC-AWEZNQCLSA-N	0	0	358.420	-0.648	40	0		FBABRN
COc1cc(N2CCO[C@@]3(C2)COCCN(S(C)(=O)=O)C3)ncn1	ZINC000096076888	132218427	/nfs/dbraw/zinc/21/84/27/132218427.db2.gz	YZOFVLREMUTXSC-CQSZACIVSA-N	0	0	358.420	-0.648	40	0		FBABRN
O=S(=O)(C1CC1)N1CCOC[C@]2(CN(c3ncccn3)CCO2)C1	ZINC000096076893	132218378	/nfs/dbraw/zinc/21/83/78/132218378.db2.gz	XWYKTDUGAWCXIF-HNNXBMFYSA-N	0	0	354.432	-0.124	40	0		FBABRN
O=S(=O)(C1CC1)N1CCOC[C@@]2(CN(c3ncccn3)CCO2)C1	ZINC000096076894	132218386	/nfs/dbraw/zinc/21/83/86/132218386.db2.gz	XWYKTDUGAWCXIF-OAHLLOKOSA-N	0	0	354.432	-0.124	40	0		FBABRN
CS(=O)(=O)N1CCO[C@H]2CCN(C(=O)c3ccc[nH]c3=O)CC[C@@H]21	ZINC000096082281	205820020	/nfs/dbraw/zinc/82/00/20/205820020.db2.gz	XXSKVHZCNKURFU-STQMWFEESA-N	0	0	355.416	-0.360	40	0		FBABRN
CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)c3ccc[nH]c3=O)CC[C@@H]21	ZINC000096082282	483824738	/nfs/dbraw/zinc/82/47/38/483824738.db2.gz	XXSKVHZCNKURFU-QWHCGFSZSA-N	0	0	355.416	-0.360	40	0		FBABRN
O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(c3ncccn3)C[C@@H]21)N1CCOCC1	ZINC000096082982	483824760	/nfs/dbraw/zinc/82/47/60/483824760.db2.gz	PYFKPCOTVCUPAR-MGPQQGTHSA-N	0	0	366.443	-0.425	40	0		FBABRN
O=S(=O)(C1CC1)N1CCc2nnc(COc3cncnc3)n2CC1	ZINC000096084609	483824909	/nfs/dbraw/zinc/82/49/09/483824909.db2.gz	HNPVABOGEXCUII-UHFFFAOYSA-N	0	0	350.404	-0.003	40	0		FBABRN
CNC(=O)c1cc2c(nc1N(C)C)CCN(S(=O)(=O)N(C)C)CC2	ZINC000096100423	222021994	/nfs/dbraw/zinc/02/19/94/222021994.db2.gz	HABWEQVWZNDNAA-UHFFFAOYSA-N	0	0	355.464	-0.286	40	0		FBABRN
CCn1nc(C)cc1C(=O)N1C[C@@H]2COC[C@]2(CNS(C)(=O)=O)C1	ZINC000096108359	209112591	/nfs/dbraw/zinc/11/25/91/209112591.db2.gz	CJWOPOUZDVSWIB-DOMZBBRYSA-N	0	0	356.448	-0.151	40	0		FBABRN
COCC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCN(C)CC2)CC(=O)N(C)C1	ZINC000096113237	209882935	/nfs/dbraw/zinc/88/29/35/209882935.db2.gz	RFVGJAFCZGOXLG-HUUCEWRRSA-N	0	0	368.478	-0.460	40	0	biogenic,in-vitro	FBABRN
CS(=O)(=O)N1CCN(C(=O)c2ccccc2)C[C@@]2(CNC(=O)C2)C1	ZINC000096143301	222047700	/nfs/dbraw/zinc/04/77/00/222047700.db2.gz	AUGJCJMKDRJDHF-MRXNPFEDSA-N	0	0	351.428	-0.090	40	0		FBABRN
CS(=O)(=O)N1CCN(C(=O)c2ccccc2)C[C@]2(CNC(=O)C2)C1	ZINC000096143302	222048028	/nfs/dbraw/zinc/04/80/28/222048028.db2.gz	AUGJCJMKDRJDHF-INIZCTEOSA-N	0	0	351.428	-0.090	40	0		FBABRN
CN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(S(C)(=O)=O)CC2	ZINC000096143566	209122119	/nfs/dbraw/zinc/12/21/19/209122119.db2.gz	JIJOQRBKYHBHHI-QWHCGFSZSA-N	0	0	365.459	-0.205	40	0		FBABRN
CN(C)C(=O)CN1C[C@H]2CCN(c3ncccn3)CC[C@H]2S1(=O)=O	ZINC000096145631	483825206	/nfs/dbraw/zinc/82/52/06/483825206.db2.gz	HJVFLDDHONYBCE-CHWSQXEVSA-N	0	0	353.448	-0.205	40	0		FBABRN
CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@@H]2N1C(C)C	ZINC000096182674	209131733	/nfs/dbraw/zinc/13/17/33/209131733.db2.gz	KHPFWZXIIGDYOW-UPJWGTAASA-N	0	0	355.464	-0.362	40	0		FBABRN
CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3ccsc3)C[C@@H]2N1S(C)(=O)=O	ZINC000096182860	209131987	/nfs/dbraw/zinc/13/19/87/209131987.db2.gz	MUSQJSHTOIAONM-UTUOFQBUSA-N	0	0	357.457	-0.031	40	0		FBABRN
CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3cnoc3C)C[C@@H]2N1S(C)(=O)=O	ZINC000096182861	483825304	/nfs/dbraw/zinc/82/53/04/483825304.db2.gz	GHHUUEQHKSBBJT-JLLWLGSASA-N	0	0	356.404	-0.796	40	0		FBABRN
CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]2N1S(C)(=O)=O	ZINC000096182865	222068928	/nfs/dbraw/zinc/06/89/28/222068928.db2.gz	HBYIOBBLUDFWIP-UPJWGTAASA-N	0	0	352.416	-0.698	40	0		FBABRN
CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3occc3C)C[C@@H]2N1S(C)(=O)=O	ZINC000096182877	222069781	/nfs/dbraw/zinc/06/97/81/222069781.db2.gz	AWJLDAAJRZCJLQ-UTUOFQBUSA-N	0	0	355.416	-0.191	40	0		FBABRN
CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3cc(C)on3)C[C@@H]2N1S(C)(=O)=O	ZINC000096182880	483825133	/nfs/dbraw/zinc/82/51/33/483825133.db2.gz	JEYSEYDQKRSTKJ-JLLWLGSASA-N	0	0	356.404	-0.796	40	0		FBABRN
CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3ccccn3)C[C@@H]2N1S(C)(=O)=O	ZINC000096182883	222069341	/nfs/dbraw/zinc/06/93/41/222069341.db2.gz	AWTMFIPEQFFENB-RTXFEEFZSA-N	0	0	352.416	-0.698	40	0		FBABRN
CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3cccs3)C[C@@H]2N1S(C)(=O)=O	ZINC000096182886	205848087	/nfs/dbraw/zinc/84/80/87/205848087.db2.gz	IEHOQUNINQZXBH-MXWKQRLJSA-N	0	0	357.457	-0.031	40	0		FBABRN
COCC[N@@H+]1C[C@H]2CN(c3ncc(F)cn3)CCN2C[C@@H](C(=O)[O-])C1	ZINC000096184925	132221963	/nfs/dbraw/zinc/22/19/63/132221963.db2.gz	FMGPCDRHJPNRLP-JSGCOSHPSA-N	0	0	353.398	-0.231	40	0		FBABRN
COCC[N@@H+]1C[C@H]2CN(c3ncc(F)cn3)CCN2C[C@H](C(=O)[O-])C1	ZINC000096184926	132221971	/nfs/dbraw/zinc/22/19/71/132221971.db2.gz	FMGPCDRHJPNRLP-OCCSQVGLSA-N	0	0	353.398	-0.231	40	0		FBABRN
O=c1cc(Cn2cncn2)nc2n1CCCN(S(=O)(=O)C1CC1)C2	ZINC000096197605	222073737	/nfs/dbraw/zinc/07/37/37/222073737.db2.gz	PFWAJIAMDKZPHI-UHFFFAOYSA-N	0	0	350.404	-0.419	40	0		FBABRN
CS(=O)(=O)N1CCCn2c(=O)cc(CNC(=O)CC3CC3)nc2C1	ZINC000096197645	222073798	/nfs/dbraw/zinc/07/37/98/222073798.db2.gz	RANHCOHMWDUIOC-UHFFFAOYSA-N	0	0	354.432	-0.175	40	0		FBABRN
CS(=O)(=O)N1CCCn2c(=O)cc(CNC(=O)C3CCC3)nc2C1	ZINC000096197647	483825026	/nfs/dbraw/zinc/82/50/26/483825026.db2.gz	LXMQQGJZMWOJOB-UHFFFAOYSA-N	0	0	354.432	-0.175	40	0		FBABRN
COCCN1CC[C@]2(CN(S(=O)(=O)c3cn(C)cn3)C[C@H]2C)C1=O	ZINC000096201665	483825347	/nfs/dbraw/zinc/82/53/47/483825347.db2.gz	MSYJYQBAUHLIDL-IUODEOHRSA-N	0	0	356.448	-0.074	40	0		FBABRN
CN(C)S(=O)(=O)N1CC[C@]2(C1)C(=O)NC[C@@H]2COc1cccnc1	ZINC000096209760	209135955	/nfs/dbraw/zinc/13/59/55/209135955.db2.gz	BQIMVYSUCABFHU-IUODEOHRSA-N	0	0	354.432	-0.295	40	0		FBABRN
COCCNc1ccnc([C@@H]2COCCN2C(=O)CS(C)(=O)=O)n1	ZINC000096209909	209135901	/nfs/dbraw/zinc/13/59/01/209135901.db2.gz	WQSGOGHLAMNDLO-NSHDSACASA-N	0	0	358.420	-0.521	40	0		FBABRN
COCCNc1ccnc([C@H]2COCCN2C(=O)CS(C)(=O)=O)n1	ZINC000096209910	205852160	/nfs/dbraw/zinc/85/21/60/205852160.db2.gz	WQSGOGHLAMNDLO-LLVKDONJSA-N	0	0	358.420	-0.521	40	0		FBABRN
Cn1ccc(C(=O)N2CCC3(CCOC[C@@H]3NS(C)(=O)=O)CC2)n1	ZINC000096218520	209138104	/nfs/dbraw/zinc/13/81/04/209138104.db2.gz	KSZCDYAYMPVKPY-ZDUSSCGKSA-N	0	0	356.448	-0.019	40	0		FBABRN
Cn1ccc(C(=O)N2CCC3(CCOC[C@H]3NS(C)(=O)=O)CC2)n1	ZINC000096218521	209137674	/nfs/dbraw/zinc/13/76/74/209137674.db2.gz	KSZCDYAYMPVKPY-CYBMUJFWSA-N	0	0	356.448	-0.019	40	0		FBABRN
Cn1cc(C(=O)N2CCC3(CCOC[C@@H]3NS(C)(=O)=O)CC2)cn1	ZINC000096219689	483825616	/nfs/dbraw/zinc/82/56/16/483825616.db2.gz	MBLXPTFYKQISBL-ZDUSSCGKSA-N	0	0	356.448	-0.019	40	0		FBABRN
Cn1cc(C(=O)N2CCC3(CCOC[C@H]3NS(C)(=O)=O)CC2)cn1	ZINC000096219690	222084037	/nfs/dbraw/zinc/08/40/37/222084037.db2.gz	MBLXPTFYKQISBL-CYBMUJFWSA-N	0	0	356.448	-0.019	40	0		FBABRN
Cn1nccc1C(=O)N1CCC2(CCOC[C@@H]2NS(C)(=O)=O)CC1	ZINC000096219976	222083784	/nfs/dbraw/zinc/08/37/84/222083784.db2.gz	XLFQGCMNCPTJSE-ZDUSSCGKSA-N	0	0	356.448	-0.019	40	0		FBABRN
Cn1nccc1C(=O)N1CCC2(CCOC[C@H]2NS(C)(=O)=O)CC1	ZINC000096219977	222084151	/nfs/dbraw/zinc/08/41/51/222084151.db2.gz	XLFQGCMNCPTJSE-CYBMUJFWSA-N	0	0	356.448	-0.019	40	0		FBABRN
CS(=O)(=O)N1Cc2cncn2C[C@H](COCC(=O)N2CCCC2)C1	ZINC000096220354	222083253	/nfs/dbraw/zinc/08/32/53/222083253.db2.gz	BJUQWNZHIKKSOH-ZDUSSCGKSA-N	0	0	356.448	-0.087	40	0		FBABRN
CS(=O)(=O)N1Cc2cncn2C[C@@H](COCC(=O)N2CCCC2)C1	ZINC000096220357	209137748	/nfs/dbraw/zinc/13/77/48/209137748.db2.gz	BJUQWNZHIKKSOH-CYBMUJFWSA-N	0	0	356.448	-0.087	40	0		FBABRN
Cc1cnc(CNC(=O)C2=NO[C@]3(CCN(CC(=O)N(C)C)C3)C2)cn1	ZINC000096225970	483825571	/nfs/dbraw/zinc/82/55/71/483825571.db2.gz	ZQAVBUYAMGXNQZ-QGZVFWFLSA-N	0	0	360.418	-0.290	40	0		FBABRN
Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(CC(=O)N(C)C)C3)C2)cn1	ZINC000096225971	209139129	/nfs/dbraw/zinc/13/91/29/209139129.db2.gz	ZQAVBUYAMGXNQZ-KRWDZBQOSA-N	0	0	360.418	-0.290	40	0		FBABRN
CN(C)C(=O)CN1CCOC[C@]2(CN(c3ncc(F)cn3)CCO2)C1	ZINC000096229422	132223091	/nfs/dbraw/zinc/22/30/91/132223091.db2.gz	VNEVGCDQICFOHI-MRXNPFEDSA-N	0	0	353.398	-0.389	40	0		FBABRN
CN(C)C(=O)CN1CCOC[C@@]2(CN(c3ncc(F)cn3)CCO2)C1	ZINC000096229423	132223051	/nfs/dbraw/zinc/22/30/51/132223051.db2.gz	VNEVGCDQICFOHI-INIZCTEOSA-N	0	0	353.398	-0.389	40	0		FBABRN
O=S(=O)(C1CC1)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2	ZINC000096229486	209140470	/nfs/dbraw/zinc/14/04/70/209140470.db2.gz	GQEGYLDDOQMWMR-OAHLLOKOSA-N	0	0	354.432	-0.124	40	0		FBABRN
O=S(=O)(C1CC1)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2	ZINC000096229487	483825589	/nfs/dbraw/zinc/82/55/89/483825589.db2.gz	GQEGYLDDOQMWMR-HNNXBMFYSA-N	0	0	354.432	-0.124	40	0		FBABRN
CS(=O)(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3)CCO2)C1	ZINC000096229510	209141027	/nfs/dbraw/zinc/14/10/27/209141027.db2.gz	UHNBBUAMRKBHEQ-HNNXBMFYSA-N	0	0	355.416	-0.415	40	0		FBABRN
CS(=O)(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3)CCO2)C1	ZINC000096229511	222090691	/nfs/dbraw/zinc/09/06/91/222090691.db2.gz	UHNBBUAMRKBHEQ-OAHLLOKOSA-N	0	0	355.416	-0.415	40	0		FBABRN
CN(C)C(=O)CN1CCN(C)C(=O)[C@@]12CCN(c1ncc(F)cn1)C2	ZINC000096229594	209140994	/nfs/dbraw/zinc/14/09/94/209140994.db2.gz	WUQMZPNSFQPHLQ-INIZCTEOSA-N	0	0	350.398	-0.573	40	0		FBABRN
CN(C)C(=O)CN1CCN(C)C(=O)[C@]12CCN(c1ncc(F)cn1)C2	ZINC000096229595	222091927	/nfs/dbraw/zinc/09/19/27/222091927.db2.gz	WUQMZPNSFQPHLQ-MRXNPFEDSA-N	0	0	350.398	-0.573	40	0		FBABRN
CCCS(=O)(=O)N1CC[C@@]2(C1)CN(c1cnn(C)c1)C(=O)CN2C	ZINC000096230545	222091722	/nfs/dbraw/zinc/09/17/22/222091722.db2.gz	OOTHKMCNWYRYIU-OAHLLOKOSA-N	0	0	355.464	-0.117	40	0		FBABRN
CCCS(=O)(=O)N1CC[C@]2(C1)CN(c1cnn(C)c1)C(=O)CN2C	ZINC000096230546	222091358	/nfs/dbraw/zinc/09/13/58/222091358.db2.gz	OOTHKMCNWYRYIU-HNNXBMFYSA-N	0	0	355.464	-0.117	40	0		FBABRN
CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1nccn1C)C2	ZINC000096230559	222090883	/nfs/dbraw/zinc/09/08/83/222090883.db2.gz	FWEKACVYLIXXFW-SFHVURJKSA-N	0	0	371.445	-0.007	40	0		FBABRN
CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(Cc1nccn1C)C2	ZINC000096230560	209140266	/nfs/dbraw/zinc/14/02/66/209140266.db2.gz	FWEKACVYLIXXFW-GOSISDBHSA-N	0	0	371.445	-0.007	40	0		FBABRN
CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(S(C)(=O)=O)C2	ZINC000096237664	209141426	/nfs/dbraw/zinc/14/14/26/209141426.db2.gz	RCKRNIRPDQWORQ-AWEZNQCLSA-N	0	0	355.420	-0.981	40	0		FBABRN
CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(S(C)(=O)=O)C2	ZINC000096237665	222094104	/nfs/dbraw/zinc/09/41/04/222094104.db2.gz	RCKRNIRPDQWORQ-CQSZACIVSA-N	0	0	355.420	-0.981	40	0		FBABRN
CCS(=O)(=O)N1CCOC[C@]2(CN(c3cnn(C)c3)C(=O)CO2)C1	ZINC000096240221	222095186	/nfs/dbraw/zinc/09/51/86/222095186.db2.gz	IFNOZZQXQNVJDU-CQSZACIVSA-N	0	0	358.420	-0.796	40	0		FBABRN
CCS(=O)(=O)N1CCOC[C@@]2(CN(c3cnn(C)c3)C(=O)CO2)C1	ZINC000096240222	222096154	/nfs/dbraw/zinc/09/61/54/222096154.db2.gz	IFNOZZQXQNVJDU-AWEZNQCLSA-N	0	0	358.420	-0.796	40	0		FBABRN
CC(C)NC(=O)N1CCOC[C@]2(CN(c3cnn(C)c3)C(=O)CO2)C1	ZINC000096240223	483825630	/nfs/dbraw/zinc/82/56/30/483825630.db2.gz	REELPCYHKXDHFB-MRXNPFEDSA-N	0	0	351.407	-0.028	40	0		FBABRN
CC(C)NC(=O)N1CCOC[C@@]2(CN(c3cnn(C)c3)C(=O)CO2)C1	ZINC000096240224	222095060	/nfs/dbraw/zinc/09/50/60/222095060.db2.gz	REELPCYHKXDHFB-INIZCTEOSA-N	0	0	351.407	-0.028	40	0		FBABRN
CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1	ZINC000096243551	222098718	/nfs/dbraw/zinc/09/87/18/222098718.db2.gz	DSFXXKVJCBRPFC-ZDUSSCGKSA-N	0	0	356.386	-0.051	40	0		FBABRN
CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3cnccn3)CC2)O1	ZINC000096243552	222099294	/nfs/dbraw/zinc/09/92/94/222099294.db2.gz	DSFXXKVJCBRPFC-CYBMUJFWSA-N	0	0	356.386	-0.051	40	0		FBABRN
CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)N(C)C)CC2)O1	ZINC000096243569	483825925	/nfs/dbraw/zinc/82/59/25/483825925.db2.gz	SIKRFYYTEOQVMQ-NSHDSACASA-N	0	0	357.436	-0.875	40	0		FBABRN
CNC(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)N(C)C)CC2)O1	ZINC000096243570	222098749	/nfs/dbraw/zinc/09/87/49/222098749.db2.gz	SIKRFYYTEOQVMQ-LLVKDONJSA-N	0	0	357.436	-0.875	40	0		FBABRN
CC(=O)NCC(=O)N1CCC2(CC1)O[C@@H](C(=O)N(C)C)Cn1ccnc12	ZINC000096243585	209143414	/nfs/dbraw/zinc/14/34/14/209143414.db2.gz	MENJBAWOKYUTNV-CYBMUJFWSA-N	0	0	363.418	-0.676	40	0		FBABRN
CC(=O)NCC(=O)N1CCC2(CC1)O[C@H](C(=O)N(C)C)Cn1ccnc12	ZINC000096243586	209143477	/nfs/dbraw/zinc/14/34/77/209143477.db2.gz	MENJBAWOKYUTNV-ZDUSSCGKSA-N	0	0	363.418	-0.676	40	0		FBABRN
CN(C)C(=O)CN1CC[C@@]2(C1)COCc1cnc(N3CCOCC3)nc12	ZINC000096244184	132223855	/nfs/dbraw/zinc/22/38/55/132223855.db2.gz	QLIXMLRBBRMYAI-GOSISDBHSA-N	0	0	361.446	-0.125	40	0		FBABRN
CN(C)C(=O)CN1CC[C@]2(C1)COCc1cnc(N3CCOCC3)nc12	ZINC000096244185	132223861	/nfs/dbraw/zinc/22/38/61/132223861.db2.gz	QLIXMLRBBRMYAI-SFHVURJKSA-N	0	0	361.446	-0.125	40	0		FBABRN
CS(=O)(=O)N1CC[C@@]2(C1)COCc1cnc(N3CCOCC3)nc12	ZINC000096244198	132223973	/nfs/dbraw/zinc/22/39/73/132223973.db2.gz	UIUMBGIIHBAHQQ-OAHLLOKOSA-N	0	0	354.432	-0.254	40	0		FBABRN
CS(=O)(=O)N1CC[C@]2(C1)COCc1cnc(N3CCOCC3)nc12	ZINC000096244199	132223852	/nfs/dbraw/zinc/22/38/52/132223852.db2.gz	UIUMBGIIHBAHQQ-HNNXBMFYSA-N	0	0	354.432	-0.254	40	0		FBABRN
CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)NCc3cccnc3)C[C@H]21	ZINC000096248732	222100470	/nfs/dbraw/zinc/10/04/70/222100470.db2.gz	KLWWIRQOKHTVDE-KGLIPLIRSA-N	0	0	369.447	-0.517	40	0		FBABRN
Cn1cnc(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCCN3c2ncc(F)cn2)c1	ZINC000096248850	132224104	/nfs/dbraw/zinc/22/41/04/132224104.db2.gz	HQHCFXVIFRNQGV-NEPJUHHUSA-N	0	0	368.394	-0.373	40	0		FBABRN
CN(C)C(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(S(=O)(=O)C3CC3)C[C@@H]21	ZINC000096250928	209145031	/nfs/dbraw/zinc/14/50/31/209145031.db2.gz	YCCLNQKSSOIURB-QJPTWQEYSA-N	0	0	350.462	-0.698	40	0		FBABRN
CC(C)NC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)NCCN(C)C	ZINC000096251008	222100122	/nfs/dbraw/zinc/10/01/22/222100122.db2.gz	ZDNYAEQUJPQHIV-BFHYXJOUSA-N	0	0	374.507	-0.483	40	0		FBABRN
CCS(=O)(=O)N1C[C@@H]2c3nc(N(C)C)ncc3CS(=O)(=O)[C@@H]2C1	ZINC000096251916	483825952	/nfs/dbraw/zinc/82/59/52/483825952.db2.gz	UCEFEQBWXSKQOU-WDEREUQCSA-N	0	0	360.461	-0.412	40	0		FBABRN
CS(=O)(=O)N1C[C@@H]2c3nc(NCC4CC4)ncc3CS(=O)(=O)[C@@H]2C1	ZINC000096251942	209145034	/nfs/dbraw/zinc/14/50/34/209145034.db2.gz	KBKJCYJRQWGIFN-NWDGAFQWSA-N	0	0	372.472	-0.046	40	0		FBABRN
CCCCS(=O)(=O)N1C[C@H]2C[C@H](C(=O)N3CCN(C)CC3)[C@@H](C1)O2	ZINC000096253280	483825880	/nfs/dbraw/zinc/82/58/80/483825880.db2.gz	NANSQSTWYREWIB-QLFBSQMISA-N	0	0	359.492	-0.020	40	0		FBABRN
CS(=O)(=O)N1CCN(C(=O)c2cccnc2)C[C@@]2(CNC(=O)C2)C1	ZINC000096262006	222104525	/nfs/dbraw/zinc/10/45/25/222104525.db2.gz	FFQFIVFWCUUXIP-OAHLLOKOSA-N	0	0	352.416	-0.695	40	0		FBABRN
CS(=O)(=O)N1CCN(C(=O)c2cccnc2)C[C@]2(CNC(=O)C2)C1	ZINC000096262007	209146254	/nfs/dbraw/zinc/14/62/54/209146254.db2.gz	FFQFIVFWCUUXIP-HNNXBMFYSA-N	0	0	352.416	-0.695	40	0		FBABRN
CC(C)CNC(=O)N1CCN(S(C)(=O)=O)C[C@]2(CC(=O)N(C)C2)C1	ZINC000096262063	205868775	/nfs/dbraw/zinc/86/87/75/205868775.db2.gz	ZFBNRJZINAAOCF-HNNXBMFYSA-N	0	0	360.480	-0.222	40	0		FBABRN
CC(C)CNC(=O)N1CCN(S(C)(=O)=O)C[C@@]2(CC(=O)N(C)C2)C1	ZINC000096262064	222104375	/nfs/dbraw/zinc/10/43/75/222104375.db2.gz	ZFBNRJZINAAOCF-OAHLLOKOSA-N	0	0	360.480	-0.222	40	0		FBABRN
CCN1C[C@@]2(CC1=O)CN(C(=O)NC(C)C)CCN(S(C)(=O)=O)C2	ZINC000096262172	209146036	/nfs/dbraw/zinc/14/60/36/209146036.db2.gz	REEHYTLRXJBABF-HNNXBMFYSA-N	0	0	360.480	-0.080	40	0		FBABRN
CCN1C[C@]2(CC1=O)CN(C(=O)NC(C)C)CCN(S(C)(=O)=O)C2	ZINC000096262173	483825938	/nfs/dbraw/zinc/82/59/38/483825938.db2.gz	REEHYTLRXJBABF-OAHLLOKOSA-N	0	0	360.480	-0.080	40	0		FBABRN
CCS(=O)(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(c3ncccn3)C[C@H]12	ZINC000096262196	222104464	/nfs/dbraw/zinc/10/44/64/222104464.db2.gz	JYEBYJMAHUXIMG-QWHCGFSZSA-N	0	0	365.459	-0.157	40	0		FBABRN
CNC(=O)N1CCC2(CC[C@@]3(C(=O)NC)CN(S(C)(=O)=O)C[C@@H]23)CC1	ZINC000096262388	222104568	/nfs/dbraw/zinc/10/45/68/222104568.db2.gz	WKEFACPPQJJOQS-BLLLJJGKSA-N	0	0	372.491	-0.174	40	0		FBABRN
CCN1C[C@@]23CN(C(=O)c4cnc(C)cn4)C[C@@H](C[C@@H]2S1(=O)=O)O3	ZINC000096264052	222104255	/nfs/dbraw/zinc/10/42/55/222104255.db2.gz	SQASUNKGXSIGSS-ZLDLUXBVSA-N	0	0	352.416	-0.198	40	0		FBABRN
CS(=O)(=O)N1CCCc2sc(C(=O)NCCN3CCOCC3)nc21	ZINC000096264665	222106279	/nfs/dbraw/zinc/10/62/79/222106279.db2.gz	ZSZAOFUHFUDKFE-UHFFFAOYSA-N	0	0	374.488	-0.083	40	0		FBABRN
CNC(=O)c1ncn2c1CN(CC(=O)OC)S(=O)(=O)c1ccccc1-2	ZINC000096266218	222105573	/nfs/dbraw/zinc/10/55/73/222105573.db2.gz	QRLADIAPXUVDIW-UHFFFAOYSA-N	0	0	364.383	-0.091	40	0		FBABRN
CN(C)C(=O)c1ccc2nnc([C@H]3CN(S(C)(=O)=O)CCN3C)n2c1	ZINC000096267991	222106695	/nfs/dbraw/zinc/10/66/95/222106695.db2.gz	GWVJAJOKSBBKRO-GFCCVEGCSA-N	0	0	366.447	-0.321	40	0		FBABRN
COC(=O)c1cc(OC)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(OC)c1	ZINC000096295983	484866664	/nfs/dbraw/zinc/86/66/64/484866664.db2.gz	DNTCXDVSHGJREC-BEUGDGFMSA-N	0	0	358.343	-0.303	40	0	biogenic,in-vitro	FBABRN
O=S(=O)(NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O)c1ccccc1	ZINC000096296121	484866227	/nfs/dbraw/zinc/86/62/27/484866227.db2.gz	YXYSUUKVDSHCJV-NFAWXSAZSA-N	0	0	352.416	-0.394	40	0	biogenic,in-vitro	FBABRN
CCOC(=O)CC(=O)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C	ZINC000096306560	222113551	/nfs/dbraw/zinc/11/35/51/222113551.db2.gz	GQVKMNBTWRXWGS-UHFFFAOYSA-N	0	0	373.163	-0.292	40	0		FBABRN
CCOC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3CCCO)n(C)c1=O	ZINC000096306574	209149818	/nfs/dbraw/zinc/14/98/18/209149818.db2.gz	WWOIXYPBXARRHI-UHFFFAOYSA-N	0	0	363.374	-0.597	40	0		FBABRN
COC(=O)Cn1c(=O)c2c(nc3n(CCCO)c(C)c(C)n32)n(C)c1=O	ZINC000096306576	222113462	/nfs/dbraw/zinc/11/34/62/222113462.db2.gz	WCXGPOGXGLQGIJ-UHFFFAOYSA-N	0	0	363.374	-0.678	40	0		FBABRN
Cc1cc(O)c2c(c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(C)=CC2	ZINC000096675078	210238304	/nfs/dbraw/zinc/23/83/04/210238304.db2.gz	LQVPXEJSWXVRLA-QFXBJFAPSA-N	0	0	352.383	-0.076	40	0		FBABRN
CC(C)NC(=O)N1CCN(C(=O)c2ccnnc2)C[C@@]2(CNC(=O)C2)C1	ZINC000097952729	222218132	/nfs/dbraw/zinc/21/81/32/222218132.db2.gz	JSKRJGVYCSFZJL-QGZVFWFLSA-N	0	0	360.418	-0.141	40	0		FBABRN
CC(C)NC(=O)N1CCN(C(=O)c2ccnnc2)C[C@]2(CNC(=O)C2)C1	ZINC000097952730	222217688	/nfs/dbraw/zinc/21/76/88/222217688.db2.gz	JSKRJGVYCSFZJL-KRWDZBQOSA-N	0	0	360.418	-0.141	40	0		FBABRN
COc1ccc(N2C(=O)C[C@@H](N3CCN(CCO)CC3)C2=O)c(OC)c1	ZINC000101274554	222267063	/nfs/dbraw/zinc/26/70/63/222267063.db2.gz	SNTLUFJEEVLWSK-OAHLLOKOSA-N	0	0	363.414	-0.054	40	0		FBABRN
CCOC(=O)[C@H]1ON2O[C@@H](C(=O)OC)C[C@]2(C(=O)OCC)[C@H]1CC(C)=O	ZINC000102677608	222304244	/nfs/dbraw/zinc/30/42/44/222304244.db2.gz	PBEXUCOCTXUUFC-MEQWQQMJSA-N	0	0	373.358	-0.061	40	0		FBABRN
CCOC(=O)[C@H]1ON2O[C@H](C(=O)OC)C[C@@]2(C(=O)OCC)[C@H]1CC(C)=O	ZINC000102677610	222304160	/nfs/dbraw/zinc/30/41/60/222304160.db2.gz	PBEXUCOCTXUUFC-YWDSYVAPSA-N	0	0	373.358	-0.061	40	0		FBABRN
CCOC(=O)[C@H]1ON2O[C@H](C(=O)OC)C[C@]2(C(=O)OCC)[C@H]1CC(C)=O	ZINC000102677612	483834466	/nfs/dbraw/zinc/83/44/66/483834466.db2.gz	PBEXUCOCTXUUFC-CENBSLRLSA-N	0	0	373.358	-0.061	40	0		FBABRN
COC(=O)C1C(=O)[C@H](C(=O)OC)[C@H]2C(C(=O)OC)C(=O)[C@@H](C(=O)OC)[C@@H]12	ZINC000104076703	209258010	/nfs/dbraw/zinc/25/80/10/209258010.db2.gz	JUEJDJDJLNTBRF-HEZDBXPZSA-N	0	0	370.310	-0.205	40	0		FBABRN
COC(=O)C1C(=O)[C@@H](C(=O)OC)[C@H]2C(C(=O)OC)C(=O)[C@@H](C(=O)OC)[C@@H]12	ZINC000104076706	483838432	/nfs/dbraw/zinc/83/84/32/483838432.db2.gz	JUEJDJDJLNTBRF-XIVUIJJLSA-N	0	0	370.310	-0.205	40	0		FBABRN
COC(=O)C1C(=O)[C@H](C(=O)OC)[C@@H]2C(C(=O)OC)C(=O)[C@@H](C(=O)OC)[C@@H]12	ZINC000104076709	222350945	/nfs/dbraw/zinc/35/09/45/222350945.db2.gz	JUEJDJDJLNTBRF-JDBZLTOCSA-N	0	0	370.310	-0.205	40	0		FBABRN
COC(=O)C1C(=O)[C@@H](C(=O)OC)[C@@H]2C(C(=O)OC)C(=O)[C@@H](C(=O)OC)[C@@H]12	ZINC000104076713	483838455	/nfs/dbraw/zinc/83/84/55/483838455.db2.gz	JUEJDJDJLNTBRF-QFNGTQGLSA-N	0	0	370.310	-0.205	40	0		FBABRN
C/C(Cl)=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000104204288	483838480	/nfs/dbraw/zinc/83/84/80/483838480.db2.gz	OIBGKMMIUNVDRK-UYPRKXNSSA-N	0	0	355.782	-0.008	40	0		FBABRN
C/C(Cl)=C\CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000104204291	222352695	/nfs/dbraw/zinc/35/26/95/222352695.db2.gz	OIBGKMMIUNVDRK-MEFUJMCYSA-N	0	0	355.782	-0.008	40	0		FBABRN
CCOC(=O)C(=O)C(C(=O)c1ccccn1)=c1[nH]c2nnc(N)n2c1=O	ZINC000104247233	484503721	/nfs/dbraw/zinc/50/37/21/484503721.db2.gz	GUVNQQTUFOTJKJ-QMMMGPOBSA-N	0	0	356.298	-0.387	40	0		FBABRN
CCOC(=O)C(=O)C(C(=O)c1ccccn1)=c1[nH]c2nnc(N)n2c1=O	ZINC000104247239	484504205	/nfs/dbraw/zinc/50/42/05/484504205.db2.gz	GUVNQQTUFOTJKJ-MRVPVSSYSA-N	0	0	356.298	-0.387	40	0		FBABRN
O=C([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N(C1CCCCC1)C1CCCCC1	ZINC000104329900	222355665	/nfs/dbraw/zinc/35/56/65/222355665.db2.gz	PSXGIKUTSBJBOU-QBPKDAKJSA-N	0	0	359.463	-0.084	40	0		FBABRN
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@@]21C(=O)Nc2ccccc21	ZINC000105351463	206005238	/nfs/dbraw/zinc/00/52/38/206005238.db2.gz	ZKORIKIQARBDPT-ARXYJFFGSA-N	0	0	359.382	-0.566	40	0		FBABRN
COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)N[C@@]21C(=O)Nc2ccccc21	ZINC000105351769	222368380	/nfs/dbraw/zinc/36/83/80/222368380.db2.gz	APGQXYKDXFQABD-AMMFPXSFSA-N	0	0	373.409	-0.176	40	0		FBABRN
Cc1ccc(Nc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000106775811	206312501	/nfs/dbraw/zinc/31/25/01/206312501.db2.gz	OBUBJKZOBHJFEY-XNIJJKJLSA-N	0	0	373.369	-0.217	40	0		FBABRN
CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2N1S(C)(=O)=O	ZINC000107197304	222392017	/nfs/dbraw/zinc/39/20/17/222392017.db2.gz	RCRLLCXTSUETLV-MCIONIFRSA-N	0	0	351.428	-0.093	40	0		FBABRN
COCC[N@@H+]1C[C@@H]2CN(c3ncc(F)cn3)CCN2C[C@H](C(=O)[O-])C1	ZINC000107200985	132241287	/nfs/dbraw/zinc/24/12/87/132241287.db2.gz	FMGPCDRHJPNRLP-TZMCWYRMSA-N	0	0	353.398	-0.231	40	0		FBABRN
O=C(NC[C@@]1(COc2cnccn2)C[C@@H](O)[C@@H](O)C1)N1CCOCC1	ZINC000107430466	483671542	/nfs/dbraw/zinc/67/15/42/483671542.db2.gz	RNBUVSFKLQDMCA-YWVIFJGQSA-N	0	0	352.391	-0.601	40	0	biogenic,in-vitro	FBABRN
Cc1cc(C(=O)NC[C@@]2(COc3cnccn3)C[C@@H](O)[C@@H](O)C2)n(C)n1	ZINC000107430485	206244891	/nfs/dbraw/zinc/24/48/91/206244891.db2.gz	YHEOTQWYZOMBHL-XOIINTDNSA-N	0	0	361.402	-0.171	40	0	biogenic,in-vitro	FBABRN
O=C(NC[C@@]1(COc2cnccn2)C[C@@H](O)[C@@H](O)C1)C1CCOCC1	ZINC000107430489	222393501	/nfs/dbraw/zinc/39/35/01/222393501.db2.gz	OBIXFZCQVBEFFZ-XOIINTDNSA-N	0	0	351.403	-0.100	40	0	biogenic,in-vitro	FBABRN
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000116313259	243161605	/nfs/dbraw/zinc/16/16/05/243161605.db2.gz	SDAPUULVIZMYGU-QWRGUYRKSA-N	0	0	360.418	-0.540	40	0		FBABRN
C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@H](c2cnn(C)c2)C1	ZINC000116313264	243160203	/nfs/dbraw/zinc/16/02/03/243160203.db2.gz	SDAPUULVIZMYGU-MNOVXSKESA-N	0	0	360.418	-0.540	40	0		FBABRN
CN(C)c1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c(F)c1	ZINC000122605131	243167907	/nfs/dbraw/zinc/16/79/07/243167907.db2.gz	KYRHDAQPGZJNMA-UHFFFAOYSA-N	0	0	361.381	-0.137	40	0		FBABRN
Cn1cnn(CC(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1=O	ZINC000182634040	243240776	/nfs/dbraw/zinc/24/07/76/243240776.db2.gz	RYZINCVDZFHFKX-UHFFFAOYSA-N	0	0	355.402	-0.198	40	0		FBABRN
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc2oc(=O)sc2c1	ZINC000216304595	484950554	/nfs/dbraw/zinc/95/05/54/484950554.db2.gz	ZRBWAQDAEXPMLS-LPUQOGTASA-N	0	0	371.367	-0.823	40	0		FBABRN
CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc2oc(=O)sc2c1	ZINC000216304638	484950074	/nfs/dbraw/zinc/95/00/74/484950074.db2.gz	ZRBWAQDAEXPMLS-YTLQFRNZSA-N	0	0	371.367	-0.823	40	0		FBABRN
CC(=O)N[C@H]1[C@@H](Oc2ccc3oc(=O)sc3c2)O[C@H](CO)[C@H](O)[C@H]1O	ZINC000216304679	484950416	/nfs/dbraw/zinc/95/04/16/484950416.db2.gz	ZRBWAQDAEXPMLS-CYDRSHDDSA-N	0	0	371.367	-0.823	40	0		FBABRN
CC(=O)N[C@@H]1[C@@H](Oc2ccc3oc(=O)sc3c2)O[C@H](CO)[C@H](O)[C@H]1O	ZINC000216304721	484950499	/nfs/dbraw/zinc/95/04/99/484950499.db2.gz	ZRBWAQDAEXPMLS-QJPDTAOJSA-N	0	0	371.367	-0.823	40	0		FBABRN
Nc1ncnc2nc(SCCSC3=N[C@H]4N=CNC(N)=C4N3)[nH]c21	ZINC000216961764	527574573	/nfs/dbraw/zinc/57/45/73/527574573.db2.gz	WAJUJFHZVDLGKH-SSDLBLMSSA-N	0	0	362.448	-0.187	40	0		FBABRN
Nc1ncnc2nc(SCCSC3=N[C@@H]4N=CNC(N)=C4N3)[nH]c21	ZINC000216961781	527574377	/nfs/dbraw/zinc/57/43/77/527574377.db2.gz	WAJUJFHZVDLGKH-CDUCUWFYSA-N	0	0	362.448	-0.187	40	0		FBABRN
Nc1ncnc2nc(SCCSC3=N[C@H]4N=CNC(N)=C4N3)[nH]c21	ZINC000216961803	527574821	/nfs/dbraw/zinc/57/48/21/527574821.db2.gz	WAJUJFHZVDLGKH-MLUIRONXSA-N	0	0	362.448	-0.187	40	0		FBABRN
Nc1ncnc2nc(SCCSC3=N[C@@H]4N=CNC(N)=C4N3)[nH]c21	ZINC000216961821	527574054	/nfs/dbraw/zinc/57/40/54/527574054.db2.gz	WAJUJFHZVDLGKH-ANLVUFKYSA-N	0	0	362.448	-0.187	40	0		FBABRN
C[C@@H](C(=O)NCCO)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O	ZINC000222738595	483883560	/nfs/dbraw/zinc/88/35/60/483883560.db2.gz	KAFJABQGCNWGNO-ZDUSSCGKSA-N	0	0	371.459	-0.596	40	0		FBABRN
C[C@H](C(=O)NCCO)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O	ZINC000222738664	222748882	/nfs/dbraw/zinc/74/88/82/222748882.db2.gz	KAFJABQGCNWGNO-CYBMUJFWSA-N	0	0	371.459	-0.596	40	0		FBABRN
COc1ccc(C(=O)NCCCN2CCOCC2)cc1S(N)(=O)=O	ZINC000223039801	483884782	/nfs/dbraw/zinc/88/47/82/483884782.db2.gz	SHOIQUNACVNSRR-UHFFFAOYSA-N	0	0	357.432	-0.205	40	0		FBABRN
O=C(CCn1ccc(=O)[nH]c1=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000223809593	483888217	/nfs/dbraw/zinc/88/82/17/483888217.db2.gz	LFKDPMUPJNXMAG-UHFFFAOYSA-N	0	0	373.321	-0.316	40	0		FBABRN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)N(C)CCO	ZINC000223810920	483888296	/nfs/dbraw/zinc/88/82/96/483888296.db2.gz	JSAPUHHBYYSGGX-LLVKDONJSA-N	0	0	351.450	-0.528	40	0		FBABRN
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)N(C)CCO	ZINC000223810931	483888226	/nfs/dbraw/zinc/88/82/26/483888226.db2.gz	JSAPUHHBYYSGGX-NSHDSACASA-N	0	0	351.450	-0.528	40	0		FBABRN
COCC(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000224493852	209786605	/nfs/dbraw/zinc/78/66/05/209786605.db2.gz	LWSXXEXTMCLPCH-UHFFFAOYSA-N	0	0	358.416	-0.151	40	0		FBABRN
CN1CCN(Cc2nnc(CN3CCN(C)CC3)n2-n2cccc2)CC1	ZINC000225151797	483892273	/nfs/dbraw/zinc/89/22/73/483892273.db2.gz	XJISFPXVUKKRGH-UHFFFAOYSA-N	0	0	358.494	-0.114	40	0		FBABRN
CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(C3CCOCC3)C2)C1=O	ZINC000225380604	484689573	/nfs/dbraw/zinc/68/95/73/484689573.db2.gz	FUMASRKHZSKXIZ-CABCVRRESA-N	0	0	351.447	-0.176	40	0	biogenic,in-vitro	FBABRN
O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3COC3)C2)C(=O)N1Cc1ccccc1	ZINC000225382320	484689466	/nfs/dbraw/zinc/68/94/66/484689466.db2.gz	FJJHWVZTZVOJQM-CVEARBPZSA-N	0	0	357.410	-0.556	40	0	biogenic,in-vitro	FBABRN
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1=O	ZINC000225382932	484689892	/nfs/dbraw/zinc/68/98/92/484689892.db2.gz	CXZYVZZLXDEFOA-CABCVRRESA-N	0	0	373.409	-0.782	40	0	biogenic,in-vitro	FBABRN
CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(F)c(F)c3)C2)C1=O	ZINC000225385268	484611175	/nfs/dbraw/zinc/61/11/75/484611175.db2.gz	AWDNBAURQWKPBW-RISCZKNCSA-N	0	0	351.353	-0.047	40	0	biogenic,in-vitro	FBABRN
COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C)C3)C2=O)cc1	ZINC000225395985	484701899	/nfs/dbraw/zinc/70/18/99/484701899.db2.gz	UNZSVFGTPWLUII-CABCVRRESA-N	0	0	373.409	-0.539	40	0	biogenic,in-vitro	FBABRN
Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4COC4)C3)C2=O)o1	ZINC000225441016	209363583	/nfs/dbraw/zinc/36/35/83/209363583.db2.gz	RDKOPOBNKUKPJJ-HIFRSBDPSA-N	0	0	361.398	-0.655	40	0	biogenic,in-vitro	FBABRN
O=C(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O)C1CCOCC1	ZINC000225497951	484799263	/nfs/dbraw/zinc/79/92/63/484799263.db2.gz	NMOHDKOLIIFERQ-XOUADPBQSA-N	0	0	350.419	-0.191	40	0	biogenic,in-vitro	FBABRN
COCc1cn(C[C@H]2C[C@@H](NC(=O)c3cc(C)on3)[C@H](O)[C@@H]2O)nn1	ZINC000225499433	484800142	/nfs/dbraw/zinc/80/01/42/484800142.db2.gz	NAKCBMVTFVJDCW-IMJCEVDSSA-N	0	0	351.363	-0.739	40	0	biogenic,in-vitro	FBABRN
COCc1cn(C[C@H]2C[C@@H](NC(=O)C3CCOCC3)[C@H](O)[C@@H]2O)nn1	ZINC000225499484	209816112	/nfs/dbraw/zinc/81/61/12/209816112.db2.gz	ZXIPSLXFIOFRLC-NGFQHRJXSA-N	0	0	354.407	-0.922	40	0	biogenic,in-vitro	FBABRN
COCc1cn(C[C@H]2C[C@@H](NC(=O)c3cc(C)n(C)n3)[C@H](O)[C@@H]2O)nn1	ZINC000225499534	484799056	/nfs/dbraw/zinc/79/90/56/484799056.db2.gz	RIWYQFPKBLKJMT-LTZCYQRMSA-N	0	0	364.406	-0.993	40	0	biogenic,in-vitro	FBABRN
COCc1cn(C[C@H]2C[C@@H](NS(=O)(=O)CC(C)C)[C@H](O)[C@@H]2O)nn1	ZINC000225500267	209815760	/nfs/dbraw/zinc/81/57/60/209815760.db2.gz	YMPWRKYJZFVOKK-ZRJCITRHSA-N	0	0	362.452	-0.890	40	0	biogenic,in-vitro	FBABRN
COCc1cn(C[C@H]2C[C@@H](NC(=O)Nc3cccnc3)[C@H](O)[C@@H]2O)nn1	ZINC000225504395	484805541	/nfs/dbraw/zinc/80/55/41/484805541.db2.gz	GGIYAVDXTRKYHI-QZKOUSHUSA-N	0	0	362.390	-0.249	40	0	biogenic,in-vitro	FBABRN
COCc1cn(C[C@H]2C[C@@H](NC(=O)NC3CCCC3)[C@H](O)[C@@H]2O)nn1	ZINC000225504441	484805693	/nfs/dbraw/zinc/80/56/93/484805693.db2.gz	UUFPPEIENDRFKL-QZKOUSHUSA-N	0	0	353.423	-0.223	40	0	biogenic,in-vitro	FBABRN
Cc1cc(C(=O)N[C@@H]2C[C@H](Cn3cc(CN(C)C)nn3)[C@@H](O)[C@H]2O)no1	ZINC000225509638	484805436	/nfs/dbraw/zinc/80/54/36/484805436.db2.gz	CLCBNYKUVAZJCA-LTZCYQRMSA-N	0	0	364.406	-0.824	40	0	biogenic,in-vitro	FBABRN
CN(C)Cc1cn(C[C@H]2C[C@@H](NC(=O)NC3CCCC3)[C@H](O)[C@@H]2O)nn1	ZINC000225510473	484805399	/nfs/dbraw/zinc/80/53/99/484805399.db2.gz	NORMMVOZJSQIQJ-MPESAESLSA-N	0	0	366.466	-0.308	40	0	biogenic,in-vitro	FBABRN
CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)N3CCOCC3)[C@@H](O)[C@H]2O1	ZINC000225511589	484816425	/nfs/dbraw/zinc/81/64/25/484816425.db2.gz	IALSIQZEVQFHRM-HGYYMRRCSA-N	0	0	371.434	-0.771	40	0	biogenic,in-vitro	FBABRN
COCCNC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)NC(C)C)O[C@@H]2[C@@H]1O	ZINC000225513625	209817840	/nfs/dbraw/zinc/81/78/40/209817840.db2.gz	GVCNWGWRNJFPIA-PRSHDEELSA-N	0	0	359.423	-0.868	40	0	biogenic,in-vitro	FBABRN
CCCNC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCOCC3)O[C@@H]2[C@@H]1O	ZINC000225514773	484817959	/nfs/dbraw/zinc/81/79/59/484817959.db2.gz	NKNWHVPAHBFUMD-HGYYMRRCSA-N	0	0	371.434	-0.770	40	0	biogenic,in-vitro	FBABRN
CC(C)NC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCOCC3)O[C@@H]2[C@@H]1O	ZINC000225514933	484817881	/nfs/dbraw/zinc/81/78/81/484817881.db2.gz	PFBNFWDHYLUIIG-HGYYMRRCSA-N	0	0	371.434	-0.771	40	0	biogenic,in-vitro	FBABRN
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NC3CCC3)[C@@H](O)[C@H]2O1	ZINC000225516167	484820097	/nfs/dbraw/zinc/82/00/97/484820097.db2.gz	WZTMTYRERNWCHL-HGYYMRRCSA-N	0	0	371.434	-0.723	40	0	biogenic,in-vitro	FBABRN
CCCNC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)NCCOC)O[C@@H]2[C@@H]1O	ZINC000225516318	484819720	/nfs/dbraw/zinc/81/97/20/484819720.db2.gz	XAESHRHEOFWMTE-PRSHDEELSA-N	0	0	359.423	-0.866	40	0	biogenic,in-vitro	FBABRN
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NC(C)C)[C@@H](O)[C@H]2O1	ZINC000225516626	484819867	/nfs/dbraw/zinc/81/98/67/484819867.db2.gz	UXMKBDQLYZLNFT-PRSHDEELSA-N	0	0	359.423	-0.868	40	0	biogenic,in-vitro	FBABRN
Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)NCCN1CCOCC1	ZINC000225883969	483894104	/nfs/dbraw/zinc/89/41/04/483894104.db2.gz	XQDRGPFUQRTIMA-UHFFFAOYSA-N	0	0	362.477	-0.091	40	0		FBABRN
COC(=O)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)c2ccccc2O1	ZINC000225960176	132287686	/nfs/dbraw/zinc/28/76/86/132287686.db2.gz	VPYJBXRQXSROKE-ZDUSSCGKSA-N	0	0	371.415	-0.308	40	0		FBABRN
COC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)N(C)C)c2ccccc2O1	ZINC000225960188	132287703	/nfs/dbraw/zinc/28/77/03/132287703.db2.gz	VPYJBXRQXSROKE-CYBMUJFWSA-N	0	0	371.415	-0.308	40	0		FBABRN
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccccc1F)N[C@]2(CO)C(=O)OC	ZINC000229994935	484345728	/nfs/dbraw/zinc/34/57/28/484345728.db2.gz	JXSJQPJTLLOUGN-MRHIQRDNSA-N	0	0	350.346	-0.005	40	0		FBABRN
CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccc2oc(=O)sc2c1	ZINC000242750534	485011354	/nfs/dbraw/zinc/01/13/54/485011354.db2.gz	ZRBWAQDAEXPMLS-FYGCWZCISA-N	0	0	371.367	-0.823	40	0		FBABRN
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccc2oc(=O)sc2c1	ZINC000242750535	485011127	/nfs/dbraw/zinc/01/11/27/485011127.db2.gz	ZRBWAQDAEXPMLS-KYLSFTOHSA-N	0	0	371.367	-0.823	40	0		FBABRN
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc2oc(=O)sc2c1	ZINC000242750536	485011764	/nfs/dbraw/zinc/01/17/64/485011764.db2.gz	ZRBWAQDAEXPMLS-RHZHCTOVSA-N	0	0	371.367	-0.823	40	0		FBABRN
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc2oc(=O)sc2c1	ZINC000242750537	485011838	/nfs/dbraw/zinc/01/18/38/485011838.db2.gz	ZRBWAQDAEXPMLS-RMTQGBGSSA-N	0	0	371.367	-0.823	40	0		FBABRN
CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)Cc1ccccc1	ZINC000242798144	484418457	/nfs/dbraw/zinc/41/84/57/484418457.db2.gz	FCJQKPCFCSDGGB-UHFFFAOYSA-N	0	0	355.460	-0.103	40	0		FBABRN
CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCCN1CCOCC1	ZINC000244277121	484426543	/nfs/dbraw/zinc/42/65/43/484426543.db2.gz	WRWZKDXDWOIVFY-UHFFFAOYSA-N	0	0	369.487	-0.061	40	0		FBABRN
CCN1C(=O)[C@@H]2[C@H](c3ccccc3F)N[C@](CO)(C(=O)OC)[C@H]2C1=O	ZINC000245230006	521532111	/nfs/dbraw/zinc/53/21/11/521532111.db2.gz	JXSJQPJTLLOUGN-LKQDWFRTSA-N	0	0	350.346	-0.005	40	0		FBABRN
CCN1C(=O)[C@@H]2[C@H](c3ccccc3F)N[C@@](CO)(C(=O)OC)[C@H]2C1=O	ZINC000245230007	521531684	/nfs/dbraw/zinc/53/16/84/521531684.db2.gz	JXSJQPJTLLOUGN-PFHKOEEOSA-N	0	0	350.346	-0.005	40	0		FBABRN
CS(=O)(=O)NC[C@H]1Cn2nccc2CN(C(=O)C2CCOCC2)C1	ZINC000247522197	484182529	/nfs/dbraw/zinc/18/25/29/484182529.db2.gz	LUZAHNIFGCLOAY-GFCCVEGCSA-N	0	0	356.448	-0.183	40	0		FBABRN
CS(=O)(=O)NC[C@@H]1Cn2nccc2CN(C(=O)C2CCOCC2)C1	ZINC000247522199	209913728	/nfs/dbraw/zinc/91/37/28/209913728.db2.gz	LUZAHNIFGCLOAY-LBPRGKRZSA-N	0	0	356.448	-0.183	40	0		FBABRN
Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(S(C)(=O)=O)C3)n1	ZINC000247522230	484181731	/nfs/dbraw/zinc/18/17/31/484181731.db2.gz	LVCKWTJBOBBUAD-LLVKDONJSA-N	0	0	361.445	-0.387	40	0		FBABRN
Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(S(C)(=O)=O)C3)n1	ZINC000247522231	484182910	/nfs/dbraw/zinc/18/29/10/484182910.db2.gz	LVCKWTJBOBBUAD-NSHDSACASA-N	0	0	361.445	-0.387	40	0		FBABRN
C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000247549768	243271938	/nfs/dbraw/zinc/27/19/38/243271938.db2.gz	SDAPUULVIZMYGU-GHMZBOCLSA-N	0	0	360.418	-0.540	40	0		FBABRN
C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](c2cnn(C)c2)C1	ZINC000247549772	243271976	/nfs/dbraw/zinc/27/19/76/243271976.db2.gz	SDAPUULVIZMYGU-WDEREUQCSA-N	0	0	360.418	-0.540	40	0		FBABRN
CS(=O)(=O)N1CC2(C1)CN(CC1CC1)[C@H](C(=O)N1CCCCO1)CO2	ZINC000247550411	209913430	/nfs/dbraw/zinc/91/34/30/209913430.db2.gz	VRAMSARMTBFFEZ-AWEZNQCLSA-N	0	0	373.475	-0.335	40	0		FBABRN
CS(=O)(=O)N1CC2(C1)CN(CC1CC1)[C@@H](C(=O)N1CCCCO1)CO2	ZINC000247550417	222948911	/nfs/dbraw/zinc/94/89/11/222948911.db2.gz	VRAMSARMTBFFEZ-CQSZACIVSA-N	0	0	373.475	-0.335	40	0		FBABRN
CNC(=O)[C@@H]1COC2(CN(S(=O)(=O)c3cccc(C)c3)C2)CN1C	ZINC000247720668	484184637	/nfs/dbraw/zinc/18/46/37/484184637.db2.gz	AHTFGOYNHCKCBG-AWEZNQCLSA-N	0	0	353.444	-0.185	40	0		FBABRN
CNC(=O)[C@H]1COC2(CN(S(=O)(=O)c3cccc(C)c3)C2)CN1C	ZINC000247720674	484184805	/nfs/dbraw/zinc/18/48/05/484184805.db2.gz	AHTFGOYNHCKCBG-CQSZACIVSA-N	0	0	353.444	-0.185	40	0		FBABRN
CNC(=O)[C@H]1COC2(CN(C(=O)c3cccc4c3OCCO4)C2)CN1C	ZINC000247722517	484184563	/nfs/dbraw/zinc/18/45/63/484184563.db2.gz	BRFSCZKLZXVGNS-CYBMUJFWSA-N	0	0	361.398	-0.271	40	0		FBABRN
CNC(=O)[C@@H]1COC2(CN(C(=O)c3cccc4c3OCCO4)C2)CN1C	ZINC000247722523	222949057	/nfs/dbraw/zinc/94/90/57/222949057.db2.gz	BRFSCZKLZXVGNS-ZDUSSCGKSA-N	0	0	361.398	-0.271	40	0		FBABRN
COCC[N@@H+]1C[C@@H]2CN(c3ncc(F)cn3)CCN2C[C@@H](C(=O)[O-])C1	ZINC000247825316	132292078	/nfs/dbraw/zinc/29/20/78/132292078.db2.gz	FMGPCDRHJPNRLP-GXTWGEPZSA-N	0	0	353.398	-0.231	40	0		FBABRN
COCCNC(=O)[C@@H]1COC2(CN(c3ncccn3)C2)CN1CC1CC1	ZINC000247882999	484184717	/nfs/dbraw/zinc/18/47/17/484184717.db2.gz	QSEYWQCHQQTBQL-HNNXBMFYSA-N	0	0	361.446	-0.091	40	0		FBABRN
COCCNC(=O)[C@H]1COC2(CN(c3ncccn3)C2)CN1CC1CC1	ZINC000247883001	484184246	/nfs/dbraw/zinc/18/42/46/484184246.db2.gz	QSEYWQCHQQTBQL-OAHLLOKOSA-N	0	0	361.446	-0.091	40	0		FBABRN
CNC(=O)[C@@H]1COC2(CN(C(=O)C3CCOCC3)C2)CN1CC1CC1	ZINC000247927415	484183951	/nfs/dbraw/zinc/18/39/51/484183951.db2.gz	DUBRGCGHQDSEKS-HNNXBMFYSA-N	0	0	351.447	-0.149	40	0		FBABRN
CNC(=O)[C@H]1COC2(CN(C(=O)C3CCOCC3)C2)CN1CC1CC1	ZINC000247927418	484184759	/nfs/dbraw/zinc/18/47/59/484184759.db2.gz	DUBRGCGHQDSEKS-OAHLLOKOSA-N	0	0	351.447	-0.149	40	0		FBABRN
CNC(=O)[C@H]1COC2(CN(C(=O)Cc3ccc4c(c3)OCO4)C2)CN1C	ZINC000247961168	222955916	/nfs/dbraw/zinc/95/59/16/222955916.db2.gz	DQGACHJXFFRLGM-CYBMUJFWSA-N	0	0	361.398	-0.385	40	0		FBABRN
CNC(=O)[C@@H]1COC2(CN(C(=O)Cc3ccc4c(c3)OCO4)C2)CN1C	ZINC000247961169	517962787	/nfs/dbraw/zinc/96/27/87/517962787.db2.gz	DQGACHJXFFRLGM-ZDUSSCGKSA-N	0	0	361.398	-0.385	40	0		FBABRN
CCS(=O)(=O)CCN1Cc2cncn2[C@H](COCC(=O)N(C)C)C1	ZINC000247972254	484185808	/nfs/dbraw/zinc/18/58/08/484185808.db2.gz	HULDSBFWJKAECS-AWEZNQCLSA-N	0	0	358.464	-0.221	40	0		FBABRN
CCS(=O)(=O)CCN1Cc2cncn2[C@@H](COCC(=O)N(C)C)C1	ZINC000247972258	484185612	/nfs/dbraw/zinc/18/56/12/484185612.db2.gz	HULDSBFWJKAECS-CQSZACIVSA-N	0	0	358.464	-0.221	40	0		FBABRN
CCS(=O)(=O)CCN1Cc2ccnn2[C@H](COCC(=O)N(C)C)C1	ZINC000247994358	484185853	/nfs/dbraw/zinc/18/58/53/484185853.db2.gz	MDRRILJXJHIJOA-AWEZNQCLSA-N	0	0	358.464	-0.221	40	0		FBABRN
CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](COCC(=O)N(C)C)C1	ZINC000247994365	222957598	/nfs/dbraw/zinc/95/75/98/222957598.db2.gz	MDRRILJXJHIJOA-CQSZACIVSA-N	0	0	358.464	-0.221	40	0		FBABRN
CCS(=O)(=O)CCN1Cc2ncn(C)c2[C@H](C(=O)N2CCOCC2)C1	ZINC000248003303	206566830	/nfs/dbraw/zinc/56/68/30/206566830.db2.gz	BGWCKBCNDXPFSS-CYBMUJFWSA-N	0	0	370.475	-0.387	40	0		FBABRN
CCS(=O)(=O)CCN1Cc2ncn(C)c2[C@@H](C(=O)N2CCOCC2)C1	ZINC000248003309	484186685	/nfs/dbraw/zinc/18/66/85/484186685.db2.gz	BGWCKBCNDXPFSS-ZDUSSCGKSA-N	0	0	370.475	-0.387	40	0		FBABRN
CCS(=O)(=O)CCN1Cc2ccnn2C[C@@H](OCC(=O)N(C)C)C1	ZINC000248014700	484186007	/nfs/dbraw/zinc/18/60/07/484186007.db2.gz	QAZMEKQMJIHANJ-AWEZNQCLSA-N	0	0	358.464	-0.393	40	0		FBABRN
CCS(=O)(=O)CCN1Cc2ccnn2C[C@H](OCC(=O)N(C)C)C1	ZINC000248014702	484185634	/nfs/dbraw/zinc/18/56/34/484185634.db2.gz	QAZMEKQMJIHANJ-CQSZACIVSA-N	0	0	358.464	-0.393	40	0		FBABRN
CCS(=O)(=O)CCN1CC2(C1)CN(C)[C@H](C(=O)N1CCCC1)CO2	ZINC000248021990	484186462	/nfs/dbraw/zinc/18/64/62/484186462.db2.gz	JEELENOSRSWIJQ-AWEZNQCLSA-N	0	0	359.492	-0.572	40	0		FBABRN
CCS(=O)(=O)CCN1CC2(C1)CN(C)[C@@H](C(=O)N1CCCC1)CO2	ZINC000248021995	484186673	/nfs/dbraw/zinc/18/66/73/484186673.db2.gz	JEELENOSRSWIJQ-CQSZACIVSA-N	0	0	359.492	-0.572	40	0		FBABRN
CNC(=O)[C@H]1COC2(CN(C(=O)COc3ccccc3OC)C2)CN1C	ZINC000248022187	484186525	/nfs/dbraw/zinc/18/65/25/484186525.db2.gz	JSWOLGOHMPBXLK-CYBMUJFWSA-N	0	0	363.414	-0.268	40	0		FBABRN
CNC(=O)[C@@H]1COC2(CN(C(=O)COc3ccccc3OC)C2)CN1C	ZINC000248022189	484186724	/nfs/dbraw/zinc/18/67/24/484186724.db2.gz	JSWOLGOHMPBXLK-ZDUSSCGKSA-N	0	0	363.414	-0.268	40	0		FBABRN
CNC(=O)[C@@H]1COC2(CN(C(=O)c3nn(C)c4ccccc43)C2)CN1C	ZINC000248026298	484186083	/nfs/dbraw/zinc/18/60/83/484186083.db2.gz	MGNPFMQEZACNSZ-AWEZNQCLSA-N	0	0	357.414	-0.156	40	0		FBABRN
CNC(=O)[C@H]1COC2(CN(C(=O)c3nn(C)c4ccccc43)C2)CN1C	ZINC000248026302	484185954	/nfs/dbraw/zinc/18/59/54/484185954.db2.gz	MGNPFMQEZACNSZ-CQSZACIVSA-N	0	0	357.414	-0.156	40	0		FBABRN
Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)NC[C@H]2CCCO2)N(C)S(=O)(=O)N1	ZINC000248027191	484973438	/nfs/dbraw/zinc/97/34/38/484973438.db2.gz	OANNNRJGSWFHIL-KWCYVHTRSA-N	0	0	371.463	-0.397	40	0		FBABRN
Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)NC[C@H]2CCCO2)N(C)S(=O)(=O)N1	ZINC000248027194	484972999	/nfs/dbraw/zinc/97/29/99/484972999.db2.gz	OANNNRJGSWFHIL-XBFCOCLRSA-N	0	0	371.463	-0.397	40	0		FBABRN
CCS(=O)(=O)CCN1CC2(C1)CN(CC1CC1)[C@H](C(=O)N(C)C)CO2	ZINC000248058080	484187882	/nfs/dbraw/zinc/18/78/82/484187882.db2.gz	YNNUZKQKLDHFIK-HNNXBMFYSA-N	0	0	373.519	-0.326	40	0		FBABRN
CCS(=O)(=O)CCN1CC2(C1)CN(CC1CC1)[C@@H](C(=O)N(C)C)CO2	ZINC000248058085	484187522	/nfs/dbraw/zinc/18/75/22/484187522.db2.gz	YNNUZKQKLDHFIK-OAHLLOKOSA-N	0	0	373.519	-0.326	40	0		FBABRN
COCCNC(=O)[C@H]1COC2(CN(c3cc(OC)ncn3)C2)CN1C	ZINC000248081624	484188211	/nfs/dbraw/zinc/18/82/11/484188211.db2.gz	PWZZLYHCNMRLJR-GFCCVEGCSA-N	0	0	351.407	-0.863	40	0		FBABRN
COCCNC(=O)[C@@H]1COC2(CN(c3cc(OC)ncn3)C2)CN1C	ZINC000248081629	206568844	/nfs/dbraw/zinc/56/88/44/206568844.db2.gz	PWZZLYHCNMRLJR-LBPRGKRZSA-N	0	0	351.407	-0.863	40	0		FBABRN
COCCNC(=O)[C@H]1COC2(CN(c3cc(N(C)C)ncn3)C2)CN1C	ZINC000248087549	484187488	/nfs/dbraw/zinc/18/74/88/484187488.db2.gz	DTUKGGSLDWKHFH-CYBMUJFWSA-N	0	0	364.450	-0.805	40	0		FBABRN
COCCNC(=O)[C@@H]1COC2(CN(c3cc(N(C)C)ncn3)C2)CN1C	ZINC000248087556	484187593	/nfs/dbraw/zinc/18/75/93/484187593.db2.gz	DTUKGGSLDWKHFH-ZDUSSCGKSA-N	0	0	364.450	-0.805	40	0		FBABRN
CCn1cc([C@@H]2C[C@H](C(=O)N[C@H](C)COC)N(C)S(=O)(=O)N2)c(C)n1	ZINC000248093588	484973501	/nfs/dbraw/zinc/97/35/01/484973501.db2.gz	CNZNDSBZISSTHZ-DDTOSNHZSA-N	0	0	373.479	-0.058	40	0		FBABRN
CCn1cc([C@@H]2C[C@@H](C(=O)N[C@H](C)COC)N(C)S(=O)(=O)N2)c(C)n1	ZINC000248093595	484973143	/nfs/dbraw/zinc/97/31/43/484973143.db2.gz	CNZNDSBZISSTHZ-SWHYSGLUSA-N	0	0	373.479	-0.058	40	0		FBABRN
CNC(=O)[C@@H]1COC2(CN(Cc3ccc(S(C)(=O)=O)cc3)C2)CN1C	ZINC000248095733	484187908	/nfs/dbraw/zinc/18/79/08/484187908.db2.gz	YAEKNXMIQJLRGE-HNNXBMFYSA-N	0	0	367.471	-0.279	40	0		FBABRN
CNC(=O)[C@H]1COC2(CN(Cc3ccc(S(C)(=O)=O)cc3)C2)CN1C	ZINC000248095862	484187569	/nfs/dbraw/zinc/18/75/69/484187569.db2.gz	YAEKNXMIQJLRGE-OAHLLOKOSA-N	0	0	367.471	-0.279	40	0		FBABRN
CN(C)c1ncc2c(n1)[C@]1(CCN(C(=O)CCS(C)(=O)=O)C1)COC2	ZINC000248154624	484188083	/nfs/dbraw/zinc/18/80/83/484188083.db2.gz	YUDVKVBUQYIHPZ-INIZCTEOSA-N	0	0	368.459	-0.022	40	0		FBABRN
CN(C)c1ncc2c(n1)[C@@]1(CCN(C(=O)CCS(C)(=O)=O)C1)COC2	ZINC000248154630	209926868	/nfs/dbraw/zinc/92/68/68/209926868.db2.gz	YUDVKVBUQYIHPZ-MRXNPFEDSA-N	0	0	368.459	-0.022	40	0		FBABRN
C[C@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@@H](C)[C@H]12	ZINC000253380241	484560628	/nfs/dbraw/zinc/56/06/28/484560628.db2.gz	MRMBZHPJVKCOMA-MPKXCIJOSA-O	0	0	351.408	-0.560	40	0		FBABRN
C[C@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@@H](C)[C@@H]12	ZINC000253380242	484560616	/nfs/dbraw/zinc/56/06/16/484560616.db2.gz	MRMBZHPJVKCOMA-UUTMEEIUSA-O	0	0	351.408	-0.560	40	0		FBABRN
CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(C(=O)C3CCOCC3)CCN21	ZINC000253397936	484484602	/nfs/dbraw/zinc/48/46/02/484484602.db2.gz	GGSMFWNJBSELRS-AWEZNQCLSA-N	0	0	359.492	-0.020	40	0	biogenic,in-vitro	FBABRN
CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(C(=O)N3CCOCC3)CCN21	ZINC000253404081	484486024	/nfs/dbraw/zinc/48/60/24/484486024.db2.gz	QVFYRGMRMWCGCX-ZDUSSCGKSA-N	0	0	360.480	-0.521	40	0	biogenic,in-vitro	FBABRN
Cc1ccnc(O[C@H]2Cn3nccc3CN(C(=O)CS(C)(=O)=O)C2)n1	ZINC000253480424	484239685	/nfs/dbraw/zinc/23/96/85/484239685.db2.gz	WSAARXHPHKCSPU-CYBMUJFWSA-N	0	0	365.415	-0.184	40	0		FBABRN
Cc1ccnc(O[C@@H]2Cn3nccc3CN(C(=O)CS(C)(=O)=O)C2)n1	ZINC000253480425	484239210	/nfs/dbraw/zinc/23/92/10/484239210.db2.gz	WSAARXHPHKCSPU-ZDUSSCGKSA-N	0	0	365.415	-0.184	40	0		FBABRN
CCS(=O)(=O)CCN1Cc2ccnn2[C@H](CNS(=O)(=O)CC)C1	ZINC000253494542	484239733	/nfs/dbraw/zinc/23/97/33/484239733.db2.gz	XXHQTWBYYGSILO-CYBMUJFWSA-N	0	0	364.493	-0.386	40	0		FBABRN
CCS(=O)(=O)CCN1Cc2ccnn2[C@@H](CNS(=O)(=O)CC)C1	ZINC000253494543	484239811	/nfs/dbraw/zinc/23/98/11/484239811.db2.gz	XXHQTWBYYGSILO-ZDUSSCGKSA-N	0	0	364.493	-0.386	40	0		FBABRN
CC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1	ZINC000253532554	519757288	/nfs/dbraw/zinc/75/72/88/519757288.db2.gz	QXRDTLAXUJONPD-IDECCGTCSA-N	0	0	368.338	-0.681	40	0	biogenic,in-vitro	FBABRN
CC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1	ZINC000253532555	519757401	/nfs/dbraw/zinc/75/74/01/519757401.db2.gz	QXRDTLAXUJONPD-IUSCBJIPSA-N	0	0	368.338	-0.681	40	0	biogenic,in-vitro	FBABRN
CNC(=O)[C@@H]1COC2(CN(C(=O)c3cnc(C)cn3)C2)CN1CC1CC1	ZINC000253601918	484241149	/nfs/dbraw/zinc/24/11/49/484241149.db2.gz	YDYCGRFZZKKLBI-HNNXBMFYSA-N	0	0	359.430	-0.164	40	0		FBABRN
CNC(=O)[C@H]1COC2(CN(C(=O)c3cnc(C)cn3)C2)CN1CC1CC1	ZINC000253601920	484241395	/nfs/dbraw/zinc/24/13/95/484241395.db2.gz	YDYCGRFZZKKLBI-OAHLLOKOSA-N	0	0	359.430	-0.164	40	0		FBABRN
CNC(=O)[C@H]1COC2(CN(S(=O)(=O)c3ccc(F)cc3)C2)CN1C	ZINC000253612955	484241055	/nfs/dbraw/zinc/24/10/55/484241055.db2.gz	CILWUQRCXGPGNA-CYBMUJFWSA-N	0	0	357.407	-0.355	40	0		FBABRN
CNC(=O)[C@@H]1COC2(CN(S(=O)(=O)c3ccc(F)cc3)C2)CN1C	ZINC000253612956	222995920	/nfs/dbraw/zinc/99/59/20/222995920.db2.gz	CILWUQRCXGPGNA-ZDUSSCGKSA-N	0	0	357.407	-0.355	40	0		FBABRN
COc1ccc(S(=O)(=O)N2CCN(C3=CC(=O)NC3=O)CC2)cc1	ZINC000256055414	206589979	/nfs/dbraw/zinc/58/99/79/206589979.db2.gz	GIHDQVFRIZVFLW-UHFFFAOYSA-N	0	0	351.384	-0.458	40	0		FBABRN
O=C(COc1ccccc1C=c1sc2ncnn2c1=O)Nc1nc[nH]n1	ZINC000256055479	484260992	/nfs/dbraw/zinc/26/09/92/484260992.db2.gz	IFJYWUKHAAJURN-WZUFQYTHSA-N	0	0	369.366	-0.166	40	0		FBABRN
COc1ccc(S(=O)(=O)N2CCN(C3=CC(=O)N(C)C3=O)CC2)cc1	ZINC000256055692	209952694	/nfs/dbraw/zinc/95/26/94/209952694.db2.gz	PXBDLNSXQDXWKC-UHFFFAOYSA-N	0	0	365.411	-0.116	40	0		FBABRN
O=COC[C@@H]1O[C@H](OC=O)[C@H](Nc2ccccc2)[C@@H](OC=O)[C@H]1OC=O	ZINC000257198402	484054833	/nfs/dbraw/zinc/05/48/33/484054833.db2.gz	MIWNGHGCKIBEFD-NPJQDHAYSA-N	0	0	367.310	-0.379	40	0		FBABRN
O=COC[C@@H]1O[C@H](OC=O)[C@H](Nc2ccccc2)[C@H](OC=O)[C@H]1OC=O	ZINC000257198403	484055101	/nfs/dbraw/zinc/05/51/01/484055101.db2.gz	MIWNGHGCKIBEFD-QRJUGERDSA-N	0	0	367.310	-0.379	40	0		FBABRN
Cc1ccc(=O)n(CC(=O)N2CCN(Cc3ccccc3)[C@H](C(N)=O)C2)n1	ZINC000257200014	209962217	/nfs/dbraw/zinc/96/22/17/209962217.db2.gz	ABQPMUAKSLKYTH-INIZCTEOSA-N	0	0	369.425	-0.250	40	0		FBABRN
Cc1ccc(=O)n(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C(N)=O)C2)n1	ZINC000257200015	484263500	/nfs/dbraw/zinc/26/35/00/484263500.db2.gz	ABQPMUAKSLKYTH-MRXNPFEDSA-N	0	0	369.425	-0.250	40	0		FBABRN
CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CNS(C)(=O)=O)n1	ZINC000257200102	484264079	/nfs/dbraw/zinc/26/40/79/484264079.db2.gz	ABZVRAYTPWNRIN-CYBMUJFWSA-N	0	0	355.420	-0.675	40	0		FBABRN
CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)CNS(C)(=O)=O)n1	ZINC000257200103	484264234	/nfs/dbraw/zinc/26/42/34/484264234.db2.gz	ABZVRAYTPWNRIN-ZDUSSCGKSA-N	0	0	355.420	-0.675	40	0		FBABRN
CC(=O)NC[C@]1(O)CCN(C(=O)CCn2ccnc2C(C)C)C[C@H]1O	ZINC000257200341	526797509	/nfs/dbraw/zinc/79/75/09/526797509.db2.gz	ACXPFSZVJAGIDU-RHSMWYFYSA-N	0	0	352.435	-0.143	40	0		FBABRN
O=C(N[C@@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O)c1ccc(F)cc1	ZINC000257200859	209961556	/nfs/dbraw/zinc/96/15/56/209961556.db2.gz	AFDJSDGZNKUFDF-QHSBEEBCSA-N	0	0	363.345	-0.057	40	0		FBABRN
Cc1c(CN2CC[C@@](O)(CNC(=O)c3ccccn3)[C@H](O)C2)cnn1C	ZINC000257201788	533847498	/nfs/dbraw/zinc/84/74/98/533847498.db2.gz	AJBGGEZHHKALEA-SJLPKXTDSA-N	0	0	359.430	-0.149	40	0		FBABRN
CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1	ZINC000257202905	533466457	/nfs/dbraw/zinc/46/64/57/533466457.db2.gz	ANWHZMPVMTYTSF-SECBINFHSA-N	0	0	351.388	-0.084	40	0		FBABRN
CS(=O)(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1	ZINC000257202906	484263656	/nfs/dbraw/zinc/26/36/56/484263656.db2.gz	ANWHZMPVMTYTSF-VIFPVBQESA-N	0	0	351.388	-0.084	40	0		FBABRN
CS(=O)(=O)c1c[nH]nc1[C@H]1COCCN1C(=O)CCn1ccnc1	ZINC000257203397	533467228	/nfs/dbraw/zinc/46/72/28/533467228.db2.gz	APVKFNFAFBGKCB-LLVKDONJSA-N	0	0	353.404	0.000	40	0		FBABRN
CS(=O)(=O)c1c[nH]nc1[C@@H]1COCCN1C(=O)CCn1ccnc1	ZINC000257203398	533467745	/nfs/dbraw/zinc/46/77/45/533467745.db2.gz	APVKFNFAFBGKCB-NSHDSACASA-N	0	0	353.404	0.000	40	0		FBABRN
CC(=O)NCC(=O)N(C)[C@@H]1CCC[C@@H](N2CCN(C(C)=O)CC2)[C@@H]1O	ZINC000257204674	526715289	/nfs/dbraw/zinc/71/52/89/526715289.db2.gz	AVVFUKQDAXDUTH-BFYDXBDKSA-N	0	0	354.451	-0.973	40	0		FBABRN
COCCN1C(=O)CO[C@H]2CN(C(=O)C3CCN(C(C)=O)CC3)C[C@@H]21	ZINC000257207345	484263877	/nfs/dbraw/zinc/26/38/77/484263877.db2.gz	BHIJFXGYPXHGNC-GJZGRUSLSA-N	0	0	353.419	-0.671	40	0		FBABRN
CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CN2CCOCC2)C1	ZINC000257210427	484265192	/nfs/dbraw/zinc/26/51/92/484265192.db2.gz	BUNVLYPDXPAGNA-GFCCVEGCSA-N	0	0	356.448	-0.149	40	0		FBABRN
CS(=O)(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)CN2CCOCC2)C1	ZINC000257210428	533467447	/nfs/dbraw/zinc/46/74/47/533467447.db2.gz	BUNVLYPDXPAGNA-LBPRGKRZSA-N	0	0	356.448	-0.149	40	0		FBABRN
CS(=O)(=O)NC[C@]1(O)CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1O	ZINC000257210516	484264781	/nfs/dbraw/zinc/26/47/81/484264781.db2.gz	BUYZBPLDRLXNLO-HIFRSBDPSA-N	0	0	353.400	-0.735	40	0		FBABRN
NC(=O)[C@@H]1CN(C(=O)CN2CCCC2=O)CCN1CCc1ccccc1	ZINC000257211759	223021343	/nfs/dbraw/zinc/02/13/43/223021343.db2.gz	CAHHKFMBMWWDJB-INIZCTEOSA-N	0	0	358.442	-0.150	40	0		FBABRN
NC(=O)[C@H]1CN(C(=O)CN2CCCC2=O)CCN1CCc1ccccc1	ZINC000257211760	484264213	/nfs/dbraw/zinc/26/42/13/484264213.db2.gz	CAHHKFMBMWWDJB-MRXNPFEDSA-N	0	0	358.442	-0.150	40	0		FBABRN
CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)CNS(C)(=O)=O)C[C@H]12	ZINC000257212365	530037749	/nfs/dbraw/zinc/03/77/49/530037749.db2.gz	CDBFDQWRMWDOBV-FRRDWIJNSA-N	0	0	353.448	-0.301	40	0		FBABRN
CN(C(=O)c1cnn2cccnc12)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257212750	223022097	/nfs/dbraw/zinc/02/20/97/223022097.db2.gz	CETIYHPFQWOPJD-UMVBOHGHSA-N	0	0	358.402	-0.875	40	0		FBABRN
O=C1CN([C@@H]2CC[C@@H](NS(=O)(=O)c3cccc(F)c3)[C@H]2O)CCN1	ZINC000257213595	534776264	/nfs/dbraw/zinc/77/62/64/534776264.db2.gz	CIGBIIRQEHQEBV-UMVBOHGHSA-N	0	0	357.407	-0.572	40	0		FBABRN
CN(C(=O)c1ccc2c(c1)ncn2C)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257213864	484264337	/nfs/dbraw/zinc/26/43/37/484264337.db2.gz	CJJPYIIPOXLZCF-JFIYKMOQSA-N	0	0	371.441	-0.031	40	0		FBABRN
Cc1cnn(CC(=O)N2CCOC[C@@H]2c2n[nH]cc2S(C)(=O)=O)c1	ZINC000257214662	484264547	/nfs/dbraw/zinc/26/45/47/484264547.db2.gz	CMXYPKSTTORQHJ-LLVKDONJSA-N	0	0	353.404	-0.082	40	0		FBABRN
Cc1cnn(CC(=O)N2CCOC[C@H]2c2n[nH]cc2S(C)(=O)=O)c1	ZINC000257214663	484265089	/nfs/dbraw/zinc/26/50/89/484265089.db2.gz	CMXYPKSTTORQHJ-NSHDSACASA-N	0	0	353.404	-0.082	40	0		FBABRN
CS(=O)(=O)N[C@@H]1CN(Cc2cccc(CN3CCOCC3)c2)C[C@H]1O	ZINC000257215150	484056808	/nfs/dbraw/zinc/05/68/08/484056808.db2.gz	COXOIUZIIXQUGG-IAGOWNOFSA-N	0	0	369.487	-0.387	40	0		FBABRN
COCc1nc2ccccc2n1CC(=O)N1CCN(C(C)=O)[C@H](C(N)=O)C1	ZINC000257215282	223023603	/nfs/dbraw/zinc/02/36/03/223023603.db2.gz	CPLVXOPDVKNHKJ-HNNXBMFYSA-N	0	0	373.413	-0.273	40	0		FBABRN
COCc1nc2ccccc2n1CC(=O)N1CCN(C(C)=O)[C@@H](C(N)=O)C1	ZINC000257215283	484264326	/nfs/dbraw/zinc/26/43/26/484264326.db2.gz	CPLVXOPDVKNHKJ-OAHLLOKOSA-N	0	0	373.413	-0.273	40	0		FBABRN
CN(C)c1cc(N2CCC[C@](O)(CNC(=O)Cn3cccn3)C2)ncn1	ZINC000257216138	132295058	/nfs/dbraw/zinc/29/50/58/132295058.db2.gz	CTGPBMXNWSYQAU-KRWDZBQOSA-N	0	0	359.434	-0.113	40	0		FBABRN
CN(C)c1cc(N2CCC[C@@](O)(CNC(=O)Cn3cccn3)C2)ncn1	ZINC000257216139	132295177	/nfs/dbraw/zinc/29/51/77/132295177.db2.gz	CTGPBMXNWSYQAU-QGZVFWFLSA-N	0	0	359.434	-0.113	40	0		FBABRN
Cc1cc(C[C@@H]2COCCN(S(=O)(=O)N3CCOCC3)C2)ncn1	ZINC000257217503	484264201	/nfs/dbraw/zinc/26/42/01/484264201.db2.gz	CZGALASTCZGNBQ-AWEZNQCLSA-N	0	0	356.448	-0.147	40	0		FBABRN
Cc1cc(C[C@H]2COCCN(S(=O)(=O)N3CCOCC3)C2)ncn1	ZINC000257217504	533764274	/nfs/dbraw/zinc/76/42/74/533764274.db2.gz	CZGALASTCZGNBQ-CQSZACIVSA-N	0	0	356.448	-0.147	40	0		FBABRN
Cc1nonc1CC(=O)N1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1	ZINC000257220784	223025450	/nfs/dbraw/zinc/02/54/50/223025450.db2.gz	DMDIZJCGZOCFSP-JSGCOSHPSA-N	0	0	358.420	-0.692	40	0		FBABRN
O=C(NC[C@@]1(O)COCCN(C(=O)c2ccc(O)cc2)C1)c1ccn[nH]1	ZINC000257221076	534616095	/nfs/dbraw/zinc/61/60/95/534616095.db2.gz	DNJXTHOYVAIHLP-KRWDZBQOSA-N	0	0	360.370	-0.251	40	0		FBABRN
O=C(NC[C@]1(O)COCCN(C(=O)c2ccc(O)cc2)C1)c1ccn[nH]1	ZINC000257221077	484264587	/nfs/dbraw/zinc/26/45/87/484264587.db2.gz	DNJXTHOYVAIHLP-QGZVFWFLSA-N	0	0	360.370	-0.251	40	0		FBABRN
Cc1cn([C@@H]2C[C@@H](NC(=O)c3ccc(F)cc3)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000257223318	534502108	/nfs/dbraw/zinc/50/21/08/534502108.db2.gz	DWVKXWJJMJOYOS-AAVRWANBSA-N	0	0	363.345	-0.138	40	0		FBABRN
CC(C)N1CCN(C(=O)c2cnn3cc(CCO)cnc23)C[C@H]1C(N)=O	ZINC000257223777	529039616	/nfs/dbraw/zinc/03/96/16/529039616.db2.gz	DYUQNZANGOSYCL-AWEZNQCLSA-N	0	0	360.418	-0.716	40	0		FBABRN
CC(C)N1CCN(C(=O)c2cnn3cc(CCO)cnc23)C[C@@H]1C(N)=O	ZINC000257223778	484265231	/nfs/dbraw/zinc/26/52/31/484265231.db2.gz	DYUQNZANGOSYCL-CQSZACIVSA-N	0	0	360.418	-0.716	40	0		FBABRN
CNC(=O)[C@H]1CNCCN1C(=O)CCS(=O)(=O)c1ccc(F)cc1	ZINC000257224318	529929053	/nfs/dbraw/zinc/92/90/53/529929053.db2.gz	FBHSKKWIBURNCS-CYBMUJFWSA-N	0	0	357.407	-0.464	40	0		FBABRN
CNC(=O)[C@@H]1CNCCN1C(=O)CCS(=O)(=O)c1ccc(F)cc1	ZINC000257224319	529911084	/nfs/dbraw/zinc/91/10/84/529911084.db2.gz	FBHSKKWIBURNCS-ZDUSSCGKSA-N	0	0	357.407	-0.464	40	0		FBABRN
CS(=O)(=O)N[C@@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@H]1O	ZINC000257224704	223027567	/nfs/dbraw/zinc/02/75/67/223027567.db2.gz	FCYMSLYIOUJGAL-VXGBXAGGSA-N	0	0	351.388	-0.998	40	0		FBABRN
CS(=O)(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCCCN2S(C)(=O)=O	ZINC000257225675	206603391	/nfs/dbraw/zinc/60/33/91/206603391.db2.gz	FHHFSEPMLZXUJB-VXGBXAGGSA-N	0	0	367.493	-0.659	40	0		FBABRN
Cc1nn(C)cc1S(=O)(=O)NC[C@@]1(O)CCN(c2ncccn2)C1	ZINC000257225927	534834796	/nfs/dbraw/zinc/83/47/96/534834796.db2.gz	FILGCIIWUHNDGY-AWEZNQCLSA-N	0	0	352.420	-0.562	40	0		FBABRN
Cc1nn(C)cc1S(=O)(=O)NC[C@]1(O)CCN(c2ncccn2)C1	ZINC000257225928	534834710	/nfs/dbraw/zinc/83/47/10/534834710.db2.gz	FILGCIIWUHNDGY-CQSZACIVSA-N	0	0	352.420	-0.562	40	0		FBABRN
Cc1ccc(C(=O)N[C@@H]2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)nc1	ZINC000257225974	484264722	/nfs/dbraw/zinc/26/47/22/484264722.db2.gz	FIQMFQSYZMRQSZ-PZTHBURQSA-N	0	0	360.370	-0.492	40	0		FBABRN
CCc1nccn1CCC(=O)N1C[C@@H]2OCC(=O)N(CCOC)[C@H]2C1	ZINC000257227709	529759816	/nfs/dbraw/zinc/75/98/16/529759816.db2.gz	FQNXYTIHQXATJE-KBPBESRZSA-N	0	0	350.419	-0.080	40	0		FBABRN
COc1ccccc1C(=O)N1CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C1	ZINC000257228219	533968162	/nfs/dbraw/zinc/96/81/62/533968162.db2.gz	FSWXBNPWXLLFHA-UKRRQHHQSA-N	0	0	358.416	-0.818	40	0		FBABRN
CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@@H]1CCC[C@@H](O)[C@@H]1O	ZINC000257228609	484264026	/nfs/dbraw/zinc/26/40/26/484264026.db2.gz	FUOCXZWPHNUSKJ-LALPHHSUSA-N	0	0	368.411	-0.436	40	0		FBABRN
CC(=O)N1CC[NH+](C[C@]2(O)CCCN(C(=O)CCC(=O)[O-])CC2)CC1	ZINC000257228897	484264111	/nfs/dbraw/zinc/26/41/11/484264111.db2.gz	FVTWSORRFPKCIE-KRWDZBQOSA-N	0	0	355.435	-0.241	40	0		FBABRN
CC(=O)N1CC[NH+](C[C@@]2(O)CCCN(C(=O)CCC(=O)[O-])CC2)CC1	ZINC000257228898	484264506	/nfs/dbraw/zinc/26/45/06/484264506.db2.gz	FVTWSORRFPKCIE-QGZVFWFLSA-N	0	0	355.435	-0.241	40	0		FBABRN
Cc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257230211	484263441	/nfs/dbraw/zinc/26/34/41/484263441.db2.gz	GBIDVGMDQGDMLG-XJKCOSOUSA-N	0	0	353.444	-0.403	40	0		FBABRN
CS(=O)(=O)N[C@@H]1CN(C(=O)CCN2CCc3ccccc32)C[C@H]1O	ZINC000257230240	206603123	/nfs/dbraw/zinc/60/31/23/206603123.db2.gz	GBKNEFMQXSINHL-UKRRQHHQSA-N	0	0	353.444	-0.440	40	0		FBABRN
CC(=O)N[C@@H]1CO[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]2C[C@@]1(C)O	ZINC000257230925	526862501	/nfs/dbraw/zinc/86/25/01/526862501.db2.gz	GENCRHOKFDEWLN-KLZNWCGWSA-N	0	0	350.419	-0.224	40	0		FBABRN
CC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)CC3CCOCC3)[C@H]2O)CC1	ZINC000257232125	526633864	/nfs/dbraw/zinc/63/38/64/526633864.db2.gz	GJMWJPYXZTWLJA-JFIYKMOQSA-N	0	0	353.463	-0.025	40	0		FBABRN
COCC(=O)NC[C@@]1(O)COCCN(C(=O)CC2(O)CCCCC2)C1	ZINC000257232937	533066030	/nfs/dbraw/zinc/06/60/30/533066030.db2.gz	GNASMYUPHFCXIC-KRWDZBQOSA-N	0	0	358.435	-0.576	40	0		FBABRN
COCC(=O)NC[C@]1(O)COCCN(C(=O)CC2(O)CCCCC2)C1	ZINC000257232938	484265155	/nfs/dbraw/zinc/26/51/55/484265155.db2.gz	GNASMYUPHFCXIC-QGZVFWFLSA-N	0	0	358.435	-0.576	40	0		FBABRN
Cn1ccc(C(=O)N2CC[C@@](C)(O)[C@H](n3cnc4c3ncnc4N)C2)n1	ZINC000257233438	223030838	/nfs/dbraw/zinc/03/08/38/223030838.db2.gz	GPGKBMJLBSIPEM-BDJLRTHQSA-N	0	0	356.390	-0.020	40	0		FBABRN
COCC(=O)NC[C@]1(O)CCN(Cc2ccc(F)c(OC)c2)C[C@H]1O	ZINC000257234118	533065576	/nfs/dbraw/zinc/06/55/76/533065576.db2.gz	GSEPQLTZFBYJKJ-NVXWUHKLSA-N	0	0	356.394	-0.105	40	0		FBABRN
CCn1ncc(S(=O)(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c1C	ZINC000257234469	484263721	/nfs/dbraw/zinc/26/37/21/484263721.db2.gz	GTPYWDQYQRTKIG-UMVBOHGHSA-N	0	0	358.464	-0.286	40	0		FBABRN
O=C1CN([C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3F)[C@H]2O)CCN1	ZINC000257234751	534776557	/nfs/dbraw/zinc/77/65/57/534776557.db2.gz	GUXSAWFXVCKHCT-LALPHHSUSA-N	0	0	357.407	-0.572	40	0		FBABRN
O=C(COc1ccc(F)cc1)N[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257237245	534622015	/nfs/dbraw/zinc/62/20/15/534622015.db2.gz	HFSQJUATZFMLDW-CKEIUWERSA-N	0	0	351.378	-0.356	40	0		FBABRN
O=C(N[C@@H]1CC[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O)c1ccccc1	ZINC000257237864	206605261	/nfs/dbraw/zinc/60/52/61/206605261.db2.gz	HINOIQNGYUEOHU-AAVRWANBSA-N	0	0	363.345	-0.057	40	0		FBABRN
CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)CNS(C)(=O)=O)nc1	ZINC000257238418	526813708	/nfs/dbraw/zinc/81/37/08/526813708.db2.gz	HKXUHAUMRJWIJV-AWEZNQCLSA-N	0	0	354.432	-0.070	40	0		FBABRN
CC(=O)NCc1ccc([C@H]2CCCN2C(=O)CNS(C)(=O)=O)nc1	ZINC000257238419	526813681	/nfs/dbraw/zinc/81/36/81/526813681.db2.gz	HKXUHAUMRJWIJV-CQSZACIVSA-N	0	0	354.432	-0.070	40	0		FBABRN
Cc1noc(C)c1CCC(=O)N[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257238563	223033547	/nfs/dbraw/zinc/03/35/47/223033547.db2.gz	HLPKCXSKTUECSK-CKEIUWERSA-N	0	0	350.419	-0.336	40	0		FBABRN
O=C(N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O)c1cnc(C2CC2)nc1	ZINC000257239156	223033778	/nfs/dbraw/zinc/03/37/78/223033778.db2.gz	HODZMCBBGCJBCG-IIAWOOMASA-N	0	0	359.430	-0.202	40	0		FBABRN
CNC(=O)[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)CCN1Cc1ccccc1	ZINC000257240794	529907583	/nfs/dbraw/zinc/90/75/83/529907583.db2.gz	HVFVTTFYRMRXGC-KRWDZBQOSA-N	0	0	358.442	-0.076	40	0		FBABRN
CNC(=O)[C@H]1CN(C(=O)C2CN(C(C)=O)C2)CCN1Cc1ccccc1	ZINC000257240795	484264868	/nfs/dbraw/zinc/26/48/68/484264868.db2.gz	HVFVTTFYRMRXGC-QGZVFWFLSA-N	0	0	358.442	-0.076	40	0		FBABRN
Cc1nn(C)cc1C(=O)N1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1	ZINC000257241378	206606713	/nfs/dbraw/zinc/60/67/13/206606713.db2.gz	HXVQRDLSDQSWNN-ZFWWWQNUSA-N	0	0	356.448	-0.270	40	0		FBABRN
Cc1nccc(CN2CC[C@@](O)(CNC(=O)c3cnccn3)[C@H](O)C2)n1	ZINC000257242186	484263743	/nfs/dbraw/zinc/26/37/43/484263743.db2.gz	IBLDYLRVHPKYQC-NVXWUHKLSA-N	0	0	358.402	-0.697	40	0		FBABRN
CC(=O)NC[C@@]1(O)COCCN(C(=O)c2ccnc(NC(C)=O)c2)C1	ZINC000257242815	526784314	/nfs/dbraw/zinc/78/43/14/526784314.db2.gz	IEGZZHGXQWWRDO-INIZCTEOSA-N	0	0	350.375	-0.620	40	0		FBABRN
CC(=O)NC[C@]1(O)COCCN(C(=O)c2ccnc(NC(C)=O)c2)C1	ZINC000257242816	484264285	/nfs/dbraw/zinc/26/42/85/484264285.db2.gz	IEGZZHGXQWWRDO-MRXNPFEDSA-N	0	0	350.375	-0.620	40	0		FBABRN
Cc1ncoc1C(=O)N[C@@H]1CC[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O	ZINC000257242984	223034716	/nfs/dbraw/zinc/03/47/16/223034716.db2.gz	IFBMKPZEOBKNMM-DDHJBXDOSA-N	0	0	364.358	-0.591	40	0		FBABRN
CC(=O)NC[C@]1(O)CCN(C(=O)CCc2nnc(C(C)C)o2)C[C@H]1O	ZINC000257243350	526797196	/nfs/dbraw/zinc/79/71/96/526797196.db2.gz	IGOCRJHDHGSTFG-MLGOLLRUSA-N	0	0	354.407	-0.414	40	0		FBABRN
COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C1	ZINC000257244915	206605655	/nfs/dbraw/zinc/60/56/55/206605655.db2.gz	INIOWPOEMKEFRJ-KRWDZBQOSA-N	0	0	368.434	-0.327	40	0		FBABRN
COCC(=O)NC[C@]1(O)COCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C1	ZINC000257244916	484264882	/nfs/dbraw/zinc/26/48/82/484264882.db2.gz	INIOWPOEMKEFRJ-QGZVFWFLSA-N	0	0	368.434	-0.327	40	0		FBABRN
Cc1cccnc1C(=O)N1CCOC[C@](O)(CNC(=O)c2ccn[nH]2)C1	ZINC000257245567	223035549	/nfs/dbraw/zinc/03/55/49/223035549.db2.gz	IQDLGZWPHZNQAO-KRWDZBQOSA-N	0	0	359.386	-0.253	40	0		FBABRN
Cc1cccnc1C(=O)N1CCOC[C@@](O)(CNC(=O)c2ccn[nH]2)C1	ZINC000257245568	484264969	/nfs/dbraw/zinc/26/49/69/484264969.db2.gz	IQDLGZWPHZNQAO-QGZVFWFLSA-N	0	0	359.386	-0.253	40	0		FBABRN
O=c1cc(CC[C@@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)nc[nH]1	ZINC000257246025	484264826	/nfs/dbraw/zinc/26/48/26/484264826.db2.gz	ISCPVVIRHBHTJF-CYBMUJFWSA-N	0	0	358.420	-0.607	40	0		FBABRN
O=c1cc(CC[C@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)nc[nH]1	ZINC000257246026	484264418	/nfs/dbraw/zinc/26/44/18/484264418.db2.gz	ISCPVVIRHBHTJF-ZDUSSCGKSA-N	0	0	358.420	-0.607	40	0		FBABRN
Cc1cc(S(N)(=O)=O)ccc1OCC(=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O	ZINC000257246627	223035768	/nfs/dbraw/zinc/03/57/68/223035768.db2.gz	IVABCVONVYRVCN-LALPHHSUSA-N	0	0	358.416	-0.588	40	0		FBABRN
COCC(=O)N[C@@H]1CN(Cc2ccc(OCCOCCO)cc2)C[C@H]1O	ZINC000257246868	484056496	/nfs/dbraw/zinc/05/64/96/484056496.db2.gz	IWESRJRRQJQXNG-IAGOWNOFSA-N	0	0	368.430	-0.618	40	0		FBABRN
Cc1nc(CN2CC[C@@](O)(CNC(=O)c3ccn[nH]3)[C@H](O)C2)cs1	ZINC000257247168	534364594	/nfs/dbraw/zinc/36/45/94/534364594.db2.gz	IXTPRXYHKYDBAY-UKRRQHHQSA-N	0	0	351.432	-0.098	40	0		FBABRN
O=C(N[C@@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O)c1cccc(F)c1	ZINC000257249343	209977271	/nfs/dbraw/zinc/97/72/71/209977271.db2.gz	JHUVAZUYCWUBIE-QHSBEEBCSA-N	0	0	363.345	-0.057	40	0		FBABRN
Cn1nccc1CN1CC[C@@](O)(CNC(=O)c2cscn2)[C@H](O)C1	ZINC000257249615	484263564	/nfs/dbraw/zinc/26/35/64/484263564.db2.gz	JJBYIKXHKQGXTP-UKRRQHHQSA-N	0	0	351.432	-0.396	40	0		FBABRN
CCn1ncc(S(=O)(=O)N2CC[C@](O)(CN3CCOCC3)C2)c1C	ZINC000257251342	223037235	/nfs/dbraw/zinc/03/72/35/223037235.db2.gz	JQJHFNMPYNRVNI-HNNXBMFYSA-N	0	0	358.464	-0.331	40	0		FBABRN
CCn1ncc(S(=O)(=O)N2CC[C@@](O)(CN3CCOCC3)C2)c1C	ZINC000257251343	484265068	/nfs/dbraw/zinc/26/50/68/484265068.db2.gz	JQJHFNMPYNRVNI-OAHLLOKOSA-N	0	0	358.464	-0.331	40	0		FBABRN
CNc1cc(N2CC[C@](O)(CNC(=O)CCc3ccnn3C)C2)ncn1	ZINC000257251397	484263523	/nfs/dbraw/zinc/26/35/23/484263523.db2.gz	JQPKLQIFIWIXGE-KRWDZBQOSA-N	0	0	359.434	-0.058	40	0		FBABRN
CNc1cc(N2CC[C@@](O)(CNC(=O)CCc3ccnn3C)C2)ncn1	ZINC000257251398	533053332	/nfs/dbraw/zinc/05/33/32/533053332.db2.gz	JQPKLQIFIWIXGE-QGZVFWFLSA-N	0	0	359.434	-0.058	40	0		FBABRN
CCn1cc(C(=O)N2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cn1	ZINC000257251975	484264089	/nfs/dbraw/zinc/26/40/89/484264089.db2.gz	JTCKXKNQZUJUJX-ZFWWWQNUSA-N	0	0	356.448	-0.096	40	0		FBABRN
Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1	ZINC000257252531	223039067	/nfs/dbraw/zinc/03/90/67/223039067.db2.gz	JVCWWEAGHLJLCE-KBPBESRZSA-N	0	0	358.464	-0.425	40	0		FBABRN
COCC(=O)NC[C@]1(O)CN(Cc2ccc3c(c2)OCCO3)C[C@H]1O	ZINC000257254991	484263939	/nfs/dbraw/zinc/26/39/39/484263939.db2.gz	KFQXZVTYFICZTM-WBVHZDCISA-N	0	0	352.387	-0.872	40	0		FBABRN
CN([C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)S(=O)(=O)c1cn(C)cn1	ZINC000257257182	530033330	/nfs/dbraw/zinc/03/33/30/530033330.db2.gz	KOKDKQWSPHLJNT-UMVBOHGHSA-N	0	0	358.464	-0.345	40	0		FBABRN
COc1ccc2[nH]cc(C(=O)N3C[C@@H](O)[C@H](NS(C)(=O)=O)C3)c2c1	ZINC000257257366	533234754	/nfs/dbraw/zinc/23/47/54/533234754.db2.gz	KPHDWWHJPMHLAV-ZIAGYGMSSA-N	0	0	353.400	-0.089	40	0		FBABRN
Cn1ccnc1C(=O)N1CC[C@@H](n2cnc3c2ncnc3N)[C@](C)(O)C1	ZINC000257257549	223040315	/nfs/dbraw/zinc/04/03/15/223040315.db2.gz	KQBQWQFTGIGROM-QLJPJBMISA-N	0	0	356.390	-0.020	40	0		FBABRN
Cc1ccccc1CC(=O)N1CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C1	ZINC000257257898	223040360	/nfs/dbraw/zinc/04/03/60/223040360.db2.gz	KROFKOOHUUTLSG-GDBMZVCRSA-N	0	0	356.444	-0.589	40	0		FBABRN
CN(C)C(=O)[C@@H]1CN(C)CCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1	ZINC000257258586	484264307	/nfs/dbraw/zinc/26/43/07/484264307.db2.gz	KURFAIYZHABISE-HNNXBMFYSA-N	0	0	367.471	-0.137	40	0		FBABRN
CN(C)C(=O)[C@H]1CN(C)CCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1	ZINC000257258587	484264152	/nfs/dbraw/zinc/26/41/52/484264152.db2.gz	KURFAIYZHABISE-OAHLLOKOSA-N	0	0	367.471	-0.137	40	0		FBABRN
CN(C(=O)c1cn(C)cn1)[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O	ZINC000257258695	223041423	/nfs/dbraw/zinc/04/14/23/223041423.db2.gz	KVCPTPWBIKIMSE-MDZLAQPJSA-N	0	0	356.390	-0.021	40	0		FBABRN
COCCOc1cc(CN2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)ccc1OC	ZINC000257258845	484056583	/nfs/dbraw/zinc/05/65/83/484056583.db2.gz	KVTIVYMAUIMUQA-ZIAGYGMSSA-N	0	0	374.459	-0.185	40	0		FBABRN
O=C(Cn1cnc2ccccc21)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257259116	223041557	/nfs/dbraw/zinc/04/15/57/223041557.db2.gz	KWXACHYIIODJIH-IDHHARJASA-N	0	0	371.441	-0.134	40	0		FBABRN
CN(C)S(=O)(=O)N1CCC[C@@H](Cc2n[nH]cc2S(C)(=O)=O)C1	ZINC000257260852	223041806	/nfs/dbraw/zinc/04/18/06/223041806.db2.gz	LESPWKPOMISFJG-JTQLQIEISA-N	0	0	350.466	-0.126	40	0		FBABRN
CN(C)S(=O)(=O)N1CCC[C@H](Cc2n[nH]cc2S(C)(=O)=O)C1	ZINC000257260853	484265766	/nfs/dbraw/zinc/26/57/66/484265766.db2.gz	LESPWKPOMISFJG-SNVBAGLBSA-N	0	0	350.466	-0.126	40	0		FBABRN
O=C(N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O)c1cnn2cccnc12	ZINC000257260866	223041247	/nfs/dbraw/zinc/04/12/47/223041247.db2.gz	LEUGFVUDPMJTEE-UMVBOHGHSA-N	0	0	358.402	-0.827	40	0		FBABRN
O=C(NC[C@@]1(O)COCCN(C(=O)C2CCOCC2)C1)c1ccn[nH]1	ZINC000257261760	534616725	/nfs/dbraw/zinc/61/67/25/534616725.db2.gz	LIRYTLXNEJZWJY-INIZCTEOSA-N	0	0	352.391	-0.844	40	0		FBABRN
O=C(NC[C@]1(O)COCCN(C(=O)C2CCOCC2)C1)c1ccn[nH]1	ZINC000257261761	209981671	/nfs/dbraw/zinc/98/16/71/209981671.db2.gz	LIRYTLXNEJZWJY-MRXNPFEDSA-N	0	0	352.391	-0.844	40	0		FBABRN
O=C1CN([C@@H]2CC[C@@H](NS(=O)(=O)c3ccc(F)cc3)[C@H]2O)CCN1	ZINC000257262069	484266943	/nfs/dbraw/zinc/26/69/43/484266943.db2.gz	LJXKPKVWXYHSGN-UMVBOHGHSA-N	0	0	357.407	-0.572	40	0		FBABRN
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@@H]1CCC[C@@H](O)[C@@H]1O	ZINC000257262123	534515352	/nfs/dbraw/zinc/51/53/52/534515352.db2.gz	LKDIJOJJBSMHLZ-JTNHKYCSSA-N	0	0	354.384	-0.778	40	0		FBABRN
O=C(NC[C@@]1(O)COCCN(C(=O)c2ncc[nH]2)C1)c1cscn1	ZINC000257262508	484267171	/nfs/dbraw/zinc/26/71/71/484267171.db2.gz	LLRRYBMTCUQBSO-AWEZNQCLSA-N	0	0	351.388	-0.500	40	0		FBABRN
O=C(NC[C@]1(O)COCCN(C(=O)c2ncc[nH]2)C1)c1cscn1	ZINC000257262509	484266951	/nfs/dbraw/zinc/26/69/51/484266951.db2.gz	LLRRYBMTCUQBSO-CQSZACIVSA-N	0	0	351.388	-0.500	40	0		FBABRN
O=C(NC[C@@]1(O)COCCN(C(=O)c2cncs2)C1)c1ccn[nH]1	ZINC000257262799	534616007	/nfs/dbraw/zinc/61/60/07/534616007.db2.gz	LMZAGJXFTQYGGR-AWEZNQCLSA-N	0	0	351.388	-0.500	40	0		FBABRN
O=C(NC[C@]1(O)COCCN(C(=O)c2cncs2)C1)c1ccn[nH]1	ZINC000257262800	223043162	/nfs/dbraw/zinc/04/31/62/223043162.db2.gz	LMZAGJXFTQYGGR-CQSZACIVSA-N	0	0	351.388	-0.500	40	0		FBABRN
CN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H](O)[C@](O)(CN2CCOCC2)[C@@H](O)C1	ZINC000257262811	223043233	/nfs/dbraw/zinc/04/32/33/223043233.db2.gz	LNALLOKEDDMBHR-VWERNLLFSA-N	0	0	360.451	-0.199	40	0		FBABRN
Cc1nccn1CC(=O)N1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1	ZINC000257263245	223042165	/nfs/dbraw/zinc/04/21/65/223042165.db2.gz	LOZZVAYWIRHKLD-ZFWWWQNUSA-N	0	0	356.448	-0.421	40	0		FBABRN
COCCN1C(=O)CO[C@H]2CCN(C(=O)Cc3nonc3C)CC[C@@H]21	ZINC000257263946	206611023	/nfs/dbraw/zinc/61/10/23/206611023.db2.gz	LSEBLAZPASTSAE-KBPBESRZSA-N	0	0	352.391	-0.215	40	0		FBABRN
CNc1cc(C)nc([C@H]2COCCN2S(=O)(=O)N2CCOCC2)n1	ZINC000257264702	484265981	/nfs/dbraw/zinc/26/59/81/484265981.db2.gz	LVSKBWNMYUMYNB-GFCCVEGCSA-N	0	0	357.436	-0.223	40	0		FBABRN
CNc1cc(C)nc([C@@H]2COCCN2S(=O)(=O)N2CCOCC2)n1	ZINC000257264703	484265704	/nfs/dbraw/zinc/26/57/04/484265704.db2.gz	LVSKBWNMYUMYNB-LBPRGKRZSA-N	0	0	357.436	-0.223	40	0		FBABRN
CC(=O)N[C@H]1CC2(CCN(C(=O)Cn3cccn3)CC2)OC[C@]1(C)O	ZINC000257265485	526894835	/nfs/dbraw/zinc/89/48/35/526894835.db2.gz	LYVKHFZSEJNGBO-HOCLYGCPSA-N	0	0	350.419	-0.080	40	0		FBABRN
O=C(Cn1cnc2ccccc21)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1	ZINC000257265513	484267106	/nfs/dbraw/zinc/26/71/06/484267106.db2.gz	LYYSDHXDMSGAIP-LMMKCTJWSA-N	0	0	374.441	-0.309	40	0		FBABRN
CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cnco2)[C@@H](O)[C@@H]1O	ZINC000257265794	484267058	/nfs/dbraw/zinc/26/70/58/484267058.db2.gz	MAHNOTQETRMLHX-NRMKKVEVSA-N	0	0	373.373	-0.289	40	0		FBABRN
COc1cccc(C(=O)N2CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C2)c1	ZINC000257266626	533402711	/nfs/dbraw/zinc/40/27/11/533402711.db2.gz	MDUCRIDVDCEAJP-UKRRQHHQSA-N	0	0	358.416	-0.818	40	0		FBABRN
Cn1c2c(ncn2[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(=O)n(C)c1=O	ZINC000257269206	484765715	/nfs/dbraw/zinc/76/57/15/484765715.db2.gz	MPAHENRPRDVERQ-UWVGGRQHSA-N	0	0	365.390	-0.414	40	0		FBABRN
CS(=O)(=O)N[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@H]1O	ZINC000257269988	223046162	/nfs/dbraw/zinc/04/61/62/223046162.db2.gz	MSHHEQUAISOQLA-VXGBXAGGSA-N	0	0	351.388	-0.998	40	0		FBABRN
CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)c2cocn2)[C@@H](O)[C@@H]1O	ZINC000257270675	484265747	/nfs/dbraw/zinc/26/57/47/484265747.db2.gz	MVFQGQCHJQPBPG-PIEOMLNGSA-N	0	0	373.373	-0.289	40	0		FBABRN
CC(=O)NCc1cncc([C@H]2CCCN2C(=O)CNS(C)(=O)=O)n1	ZINC000257270814	526816243	/nfs/dbraw/zinc/81/62/43/526816243.db2.gz	MVTPYFOHXVNERF-CYBMUJFWSA-N	0	0	355.420	-0.675	40	0		FBABRN
CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)CNS(C)(=O)=O)n1	ZINC000257270815	526815306	/nfs/dbraw/zinc/81/53/06/526815306.db2.gz	MVTPYFOHXVNERF-ZDUSSCGKSA-N	0	0	355.420	-0.675	40	0		FBABRN
O=C(COc1cccc(F)c1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1	ZINC000257271889	223045577	/nfs/dbraw/zinc/04/55/77/223045577.db2.gz	NAFKDVFHFMGYRU-NUJGCVRESA-N	0	0	368.405	-0.141	40	0		FBABRN
COc1cc(OC)cc(C(=O)N2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)c1	ZINC000257271908	484265829	/nfs/dbraw/zinc/26/58/29/484265829.db2.gz	NAHSGYBLAWHLID-NVXWUHKLSA-N	0	0	352.387	-0.222	40	0		FBABRN
CCc1noc(C)c1C(=O)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257272086	484265687	/nfs/dbraw/zinc/26/56/87/484265687.db2.gz	NAZYZNKQICMQFA-XJKCOSOUSA-N	0	0	350.419	-0.011	40	0		FBABRN
O=C(CCc1cccnc1)N1CCOC[C@@](O)(CNC(=O)c2ccn[nH]2)C1	ZINC000257272096	484265729	/nfs/dbraw/zinc/26/57/29/484265729.db2.gz	NBBKCZCIOQVNQJ-GOSISDBHSA-N	0	0	373.413	-0.243	40	0		FBABRN
O=C(CCc1cccnc1)N1CCOC[C@](O)(CNC(=O)c2ccn[nH]2)C1	ZINC000257272097	534473574	/nfs/dbraw/zinc/47/35/74/534473574.db2.gz	NBBKCZCIOQVNQJ-SFHVURJKSA-N	0	0	373.413	-0.243	40	0		FBABRN
CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@@H]1CC[C@@H](O)[C@@H]1O	ZINC000257272156	484265844	/nfs/dbraw/zinc/26/58/44/484265844.db2.gz	NBHBHJSBXXRSJF-JTNHKYCSSA-N	0	0	354.384	-0.826	40	0		FBABRN
CC(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCN(C(C)=O)CC1	ZINC000257272354	526862680	/nfs/dbraw/zinc/86/26/80/526862680.db2.gz	NCCCSPXUKTWMNE-BDXSIMOUSA-N	0	0	362.430	-0.369	40	0		FBABRN
COc1ccc(S(=O)(=O)CCNC(=O)[C@@H]2CNCCN2C(C)=O)cc1	ZINC000257273407	484266151	/nfs/dbraw/zinc/26/61/51/484266151.db2.gz	NGLOFFBLHDLLKL-HNNXBMFYSA-N	0	0	369.443	-0.595	40	0		FBABRN
COc1ccc(S(=O)(=O)CCNC(=O)[C@H]2CNCCN2C(C)=O)cc1	ZINC000257273408	533036253	/nfs/dbraw/zinc/03/62/53/533036253.db2.gz	NGLOFFBLHDLLKL-OAHLLOKOSA-N	0	0	369.443	-0.595	40	0		FBABRN
Cc1cc(S(N)(=O)=O)ccc1OCC(=O)N(C)[C@@H]1CCC[C@@H](O)[C@@H]1O	ZINC000257273970	484265854	/nfs/dbraw/zinc/26/58/54/484265854.db2.gz	NIYZNMZPBUDIRU-XJKCOSOUSA-N	0	0	372.443	-0.246	40	0		FBABRN
CC(=O)N[C@@H]1CO[C@@H]2CCN(C(=O)c3nccn3C)C[C@@H]2C[C@@]1(C)O	ZINC000257274567	526863333	/nfs/dbraw/zinc/86/33/33/526863333.db2.gz	NLPIAUONUWTGOW-ZOMKSWQUSA-N	0	0	350.419	-0.073	40	0		FBABRN
CS(=O)(=O)N[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1O	ZINC000257274737	484266512	/nfs/dbraw/zinc/26/65/12/484266512.db2.gz	NMKGBTLFNRSMOQ-CHWSQXEVSA-N	0	0	352.416	-0.384	40	0		FBABRN
CN(C(=O)Cn1ccnc1)[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O	ZINC000257275391	223047196	/nfs/dbraw/zinc/04/71/96/223047196.db2.gz	NPEPROBSTOOKSL-SUNKGSAMSA-N	0	0	356.390	-0.172	40	0		FBABRN
COc1ncc(CN2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)cn1	ZINC000257275723	223047488	/nfs/dbraw/zinc/04/74/88/223047488.db2.gz	NQQIFOWYEFNQKX-PBHICJAKSA-N	0	0	359.386	-0.782	40	0		FBABRN
Cc1cnc(C(=O)N2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cn1	ZINC000257275928	484266541	/nfs/dbraw/zinc/26/65/41/484266541.db2.gz	NROUEGKNCUJFKF-ZFWWWQNUSA-N	0	0	354.432	-0.214	40	0		FBABRN
CN(C(=O)CC1(O)CCCCC1)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257276010	484266242	/nfs/dbraw/zinc/26/62/42/484266242.db2.gz	NRZVROZUTROSDS-CKEIUWERSA-N	0	0	353.463	-0.146	40	0		FBABRN
CC(=O)N1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C)C[C@H]1C(N)=O	ZINC000257276214	526613109	/nfs/dbraw/zinc/61/31/09/526613109.db2.gz	NSVIOIQFPHDQHF-JTQLQIEISA-N	0	0	361.324	-0.245	40	0		FBABRN
CC(=O)N1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C)C[C@@H]1C(N)=O	ZINC000257276215	526612338	/nfs/dbraw/zinc/61/23/38/526612338.db2.gz	NSVIOIQFPHDQHF-SNVBAGLBSA-N	0	0	361.324	-0.245	40	0		FBABRN
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cccnn2)C[C@H]1O	ZINC000257276320	526487796	/nfs/dbraw/zinc/48/77/96/526487796.db2.gz	NTEOBBSUQDNOLG-RAIGVLPGSA-N	0	0	352.391	-0.062	40	0		FBABRN
CCCc1nnsc1C(=O)N[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257276506	528780171	/nfs/dbraw/zinc/78/01/71/528780171.db2.gz	NUAZETOZJQEKRH-IRUJWGPZSA-N	0	0	353.448	-0.456	40	0		FBABRN
CN(C(=O)Cn1cccn1)[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O	ZINC000257276697	209985479	/nfs/dbraw/zinc/98/54/79/209985479.db2.gz	NUUCCRCPZSNORW-SUNKGSAMSA-N	0	0	356.390	-0.172	40	0		FBABRN
O=S(=O)(N1CCOCC1)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1	ZINC000257277054	484266713	/nfs/dbraw/zinc/26/67/13/484266713.db2.gz	NWGLLEDEHBCZLL-GJZGRUSLSA-N	0	0	357.432	-0.137	40	0		FBABRN
CN(C(=O)c1ccn(C)n1)[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O	ZINC000257277476	484266077	/nfs/dbraw/zinc/26/60/77/484266077.db2.gz	NYDARLHTFVDBDT-MDZLAQPJSA-N	0	0	356.390	-0.021	40	0		FBABRN
Cc1cnn(CC(=O)N2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)c1	ZINC000257279840	526257660	/nfs/dbraw/zinc/25/76/60/526257660.db2.gz	OIKFTQVISDEIPT-ZFWWWQNUSA-N	0	0	356.448	-0.421	40	0		FBABRN
COc1ccccc1CN1C[C@@H](O)[C@](O)(CNC(=O)c2cnccn2)C1	ZINC000257281915	223049992	/nfs/dbraw/zinc/04/99/92/223049992.db2.gz	ORLLUAOIYYLYLP-AEFFLSMTSA-N	0	0	358.398	-0.177	40	0		FBABRN
Cn1cnc(CN2CC[C@@](O)(CNC(=O)c3cscn3)[C@H](O)C2)c1	ZINC000257283924	484266791	/nfs/dbraw/zinc/26/67/91/484266791.db2.gz	PAMLMKPXTUQGGQ-UKRRQHHQSA-N	0	0	351.432	-0.396	40	0		FBABRN
Cc1noc(C)c1CC(=O)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257285024	484265943	/nfs/dbraw/zinc/26/59/43/484265943.db2.gz	PFHGJXXZNCYBRN-CKEIUWERSA-N	0	0	350.419	-0.336	40	0		FBABRN
CN(C(=O)c1cnn(C)c1)[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O	ZINC000257285714	223051477	/nfs/dbraw/zinc/05/14/77/223051477.db2.gz	PIKYCAUJFVLXJP-MDZLAQPJSA-N	0	0	356.390	-0.021	40	0		FBABRN
Cc1cc(CC[C@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)ncn1	ZINC000257287156	223051715	/nfs/dbraw/zinc/05/17/15/223051715.db2.gz	POTHOGPVXUSDFJ-HNNXBMFYSA-N	0	0	356.448	-0.005	40	0		FBABRN
Cc1cc(CC[C@@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)ncn1	ZINC000257287157	484267219	/nfs/dbraw/zinc/26/72/19/484267219.db2.gz	POTHOGPVXUSDFJ-OAHLLOKOSA-N	0	0	356.448	-0.005	40	0		FBABRN
O=C(NC[C@@]1(O)COCCN(C(=O)c2cc[nH]n2)C1)c1cscn1	ZINC000257287158	534616327	/nfs/dbraw/zinc/61/63/27/534616327.db2.gz	POTIAJBJLMQQEM-AWEZNQCLSA-N	0	0	351.388	-0.500	40	0		FBABRN
O=C(NC[C@]1(O)COCCN(C(=O)c2cc[nH]n2)C1)c1cscn1	ZINC000257287159	223050710	/nfs/dbraw/zinc/05/07/10/223050710.db2.gz	POTIAJBJLMQQEM-CQSZACIVSA-N	0	0	351.388	-0.500	40	0		FBABRN
COc1cc(C(=O)N2CC[C@](O)(CN3CCOCC3)C2)nc(OC)n1	ZINC000257288616	484267035	/nfs/dbraw/zinc/26/70/35/484267035.db2.gz	PUYONPLUQVLVID-INIZCTEOSA-N	0	0	352.391	-0.597	40	0		FBABRN
COc1cc(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)nc(OC)n1	ZINC000257288617	223050781	/nfs/dbraw/zinc/05/07/81/223050781.db2.gz	PUYONPLUQVLVID-MRXNPFEDSA-N	0	0	352.391	-0.597	40	0		FBABRN
COCCN1C(=O)CO[C@@H]2CCN(C(=O)CCCn3cncn3)C[C@@H]21	ZINC000257288938	223051923	/nfs/dbraw/zinc/05/19/23/223051923.db2.gz	PWHZHZQAVQKSRA-UONOGXRCSA-N	0	0	351.407	-0.467	40	0		FBABRN
CC(=O)N1CCN(C(=O)CCn2c3cc(C)ccc3oc2=O)C[C@H]1C(N)=O	ZINC000257289671	484266087	/nfs/dbraw/zinc/26/60/87/484266087.db2.gz	PZSBWDIMTUUAFB-AWEZNQCLSA-N	0	0	374.397	-0.162	40	0		FBABRN
CC(=O)N1CCN(C(=O)CCn2c3cc(C)ccc3oc2=O)C[C@@H]1C(N)=O	ZINC000257289672	526607505	/nfs/dbraw/zinc/60/75/05/526607505.db2.gz	PZSBWDIMTUUAFB-CQSZACIVSA-N	0	0	374.397	-0.162	40	0		FBABRN
Cc1nonc1CC(=O)N1C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1	ZINC000257290498	223051999	/nfs/dbraw/zinc/05/19/99/223051999.db2.gz	QDEPPGFJOZTRMR-RAIGVLPGSA-N	0	0	370.406	-0.232	40	0		FBABRN
Cc1nc(CN2CC[C@@](O)(CNC(=O)c3cnc[nH]3)[C@H](O)C2)cs1	ZINC000257291429	484266178	/nfs/dbraw/zinc/26/61/78/484266178.db2.gz	QGYPXGFELQOYHG-UKRRQHHQSA-N	0	0	351.432	-0.098	40	0		FBABRN
Cn1cnc(S(=O)(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)c1	ZINC000257291534	132296800	/nfs/dbraw/zinc/29/68/00/132296800.db2.gz	QHJYQWSBUBCJJL-AWEZNQCLSA-N	0	0	352.420	-0.480	40	0		FBABRN
Cn1cnc(S(=O)(=O)NC[C@]2(O)CCCN(c3ncccn3)C2)c1	ZINC000257291535	132296807	/nfs/dbraw/zinc/29/68/07/132296807.db2.gz	QHJYQWSBUBCJJL-CQSZACIVSA-N	0	0	352.420	-0.480	40	0		FBABRN
CN1CCN(C(=O)CCCS(=O)(=O)c2ccccc2)C[C@H]1C(N)=O	ZINC000257291632	484266377	/nfs/dbraw/zinc/26/63/77/484266377.db2.gz	QHXNNUMUOQBDNV-AWEZNQCLSA-N	0	0	353.444	-0.132	40	0		FBABRN
CN1CCN(C(=O)CCCS(=O)(=O)c2ccccc2)C[C@@H]1C(N)=O	ZINC000257291633	530066913	/nfs/dbraw/zinc/06/69/13/530066913.db2.gz	QHXNNUMUOQBDNV-CQSZACIVSA-N	0	0	353.444	-0.132	40	0		FBABRN
CC(=O)NCC(=O)N1CC[C@H]2OC[C@@H](N(C)C(C)=O)[C@](C)(O)C[C@H]2C1	ZINC000257291764	484266111	/nfs/dbraw/zinc/26/61/11/484266111.db2.gz	QINGHEFDCZVGHN-KLZNWCGWSA-N	0	0	355.435	-0.642	40	0		FBABRN
CC(=O)NCc1cc([C@@H]2CCCN2C(=O)CN2C(=O)CNC2=O)ccn1	ZINC000257293953	484266855	/nfs/dbraw/zinc/26/68/55/484266855.db2.gz	QRVCSHNBKLMYDS-AWEZNQCLSA-N	0	0	359.386	-0.067	40	0		FBABRN
CC(=O)NCc1cc([C@H]2CCCN2C(=O)CN2C(=O)CNC2=O)ccn1	ZINC000257293954	206618406	/nfs/dbraw/zinc/61/84/06/206618406.db2.gz	QRVCSHNBKLMYDS-CQSZACIVSA-N	0	0	359.386	-0.067	40	0		FBABRN
Cc1cn([C@@H]2CN(C(=O)CCCNc3ncccn3)C[C@H]2O)c(=O)[nH]c1=O	ZINC000257294431	206618363	/nfs/dbraw/zinc/61/83/63/206618363.db2.gz	QUCWJZVOKQKBPZ-CHWSQXEVSA-N	0	0	374.401	-0.316	40	0		FBABRN
CNC(=O)[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1C	ZINC000257295252	484266650	/nfs/dbraw/zinc/26/66/50/484266650.db2.gz	QXPFXLZQZOBYET-AWEZNQCLSA-N	0	0	371.434	-0.122	40	0		FBABRN
CNC(=O)[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1C	ZINC000257295253	484265992	/nfs/dbraw/zinc/26/59/92/484265992.db2.gz	QXPFXLZQZOBYET-CQSZACIVSA-N	0	0	371.434	-0.122	40	0		FBABRN
Cn1cnc(S(=O)(=O)NC[C@@]2(O)CCN(c3ccc(F)cn3)C2)c1	ZINC000257295504	223055124	/nfs/dbraw/zinc/05/51/24/223055124.db2.gz	QYOVPMJHNFAPFP-AWEZNQCLSA-N	0	0	355.395	-0.126	40	0		FBABRN
Cn1cnc(S(=O)(=O)NC[C@]2(O)CCN(c3ccc(F)cn3)C2)c1	ZINC000257295505	223054770	/nfs/dbraw/zinc/05/47/70/223054770.db2.gz	QYOVPMJHNFAPFP-CQSZACIVSA-N	0	0	355.395	-0.126	40	0		FBABRN
COCCN1C(=O)CO[C@H]2CCN(C(=O)CN3CCOCC3)CC[C@@H]21	ZINC000257296391	223055679	/nfs/dbraw/zinc/05/56/79/223055679.db2.gz	RCPKLPCGIHCGHA-GJZGRUSLSA-N	0	0	355.435	-0.817	40	0		FBABRN
Cc1nonc1CC(=O)N1CCN(C)[C@H](C(=O)NCC2CCOCC2)C1	ZINC000257296734	484266784	/nfs/dbraw/zinc/26/67/84/484266784.db2.gz	REEDXXOYTFOFEJ-HNNXBMFYSA-N	0	0	365.434	-0.394	40	0		FBABRN
Cc1nonc1CC(=O)N1CCN(C)[C@@H](C(=O)NCC2CCOCC2)C1	ZINC000257296735	223054781	/nfs/dbraw/zinc/05/47/81/223054781.db2.gz	REEDXXOYTFOFEJ-OAHLLOKOSA-N	0	0	365.434	-0.394	40	0		FBABRN
O=C(NC[C@@]1(O)COCCN(C(=O)c2c[nH]cn2)C1)c1cscn1	ZINC000257296761	484266630	/nfs/dbraw/zinc/26/66/30/484266630.db2.gz	REHJYQPBACTNAU-AWEZNQCLSA-N	0	0	351.388	-0.500	40	0		FBABRN
O=C(NC[C@]1(O)COCCN(C(=O)c2c[nH]cn2)C1)c1cscn1	ZINC000257296762	484265894	/nfs/dbraw/zinc/26/58/94/484265894.db2.gz	REHJYQPBACTNAU-CQSZACIVSA-N	0	0	351.388	-0.500	40	0		FBABRN
Cc1cncc(C(=O)N[C@@H]2CC[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)c1	ZINC000257296781	484266769	/nfs/dbraw/zinc/26/67/69/484266769.db2.gz	REJIOKUYGTVQKM-KBUPBQIOSA-N	0	0	374.397	-0.184	40	0		FBABRN
CN(C)S(=O)(=O)N1CC[C@H](c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1	ZINC000257299408	223056928	/nfs/dbraw/zinc/05/69/28/223056928.db2.gz	RPZDAOXKCSEYLH-JTQLQIEISA-N	0	0	367.431	-0.772	40	0		FBABRN
CN(C)S(=O)(=O)N1CC[C@@H](c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1	ZINC000257299409	223056201	/nfs/dbraw/zinc/05/62/01/223056201.db2.gz	RPZDAOXKCSEYLH-SNVBAGLBSA-N	0	0	367.431	-0.772	40	0		FBABRN
O=c1cc(C[C@H]2COCCN(S(=O)(=O)N3CCOCC3)C2)nc[nH]1	ZINC000257300169	484265914	/nfs/dbraw/zinc/26/59/14/484265914.db2.gz	RTEMHXCSJJLMEX-GFCCVEGCSA-N	0	0	358.420	-0.750	40	0		FBABRN
O=c1cc(C[C@@H]2COCCN(S(=O)(=O)N3CCOCC3)C2)nc[nH]1	ZINC000257300170	223056665	/nfs/dbraw/zinc/05/66/65/223056665.db2.gz	RTEMHXCSJJLMEX-LBPRGKRZSA-N	0	0	358.420	-0.750	40	0		FBABRN
Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](N3CCNC(=O)C3)[C@@H]2O)cc1	ZINC000257300579	223056835	/nfs/dbraw/zinc/05/68/35/223056835.db2.gz	RUWFBWZUYCUVAV-IIAWOOMASA-N	0	0	353.444	-0.403	40	0		FBABRN
CN(C(=O)c1ccnn1C)[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O	ZINC000257303816	223057692	/nfs/dbraw/zinc/05/76/92/223057692.db2.gz	SIVFNZMLWIMCIG-NRUUGDAUSA-N	0	0	356.390	-0.021	40	0		FBABRN
CS(=O)(=O)NCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(N)=O)C1	ZINC000257304508	533396170	/nfs/dbraw/zinc/39/61/70/533396170.db2.gz	SLZCMZONBIQMBZ-JSGCOSHPSA-N	0	0	369.443	-0.293	40	0		FBABRN
COCC(=O)N[C@@H]1CN(Cc2ccc(OCCO)c(OC)c2)C[C@H]1O	ZINC000257304887	484056904	/nfs/dbraw/zinc/05/69/04/484056904.db2.gz	SNNCKLCDLPIBAI-ZIAGYGMSSA-N	0	0	354.403	-0.626	40	0		FBABRN
C[C@@]1(O)CCN(CC(=O)N2CCCCC2)C[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257308101	223060441	/nfs/dbraw/zinc/06/04/41/223060441.db2.gz	TVKGRHLWDGGRCC-CXAGYDPISA-N	0	0	350.419	-0.041	40	0		FBABRN
COCc1c(C)onc1C(=O)N[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257308140	484267144	/nfs/dbraw/zinc/26/71/44/484267144.db2.gz	TVOMPKIFHBFJSI-LALPHHSUSA-N	0	0	352.391	-0.817	40	0		FBABRN
O=C(COc1cccc(F)c1)N[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257308586	484267184	/nfs/dbraw/zinc/26/71/84/484267184.db2.gz	TXHJGQJLGWDUIO-CKEIUWERSA-N	0	0	351.378	-0.356	40	0		FBABRN
COc1ncc(CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)cn1	ZINC000257309058	223060412	/nfs/dbraw/zinc/06/04/12/223060412.db2.gz	TZIMGTIOADJXEW-ZFWWWQNUSA-N	0	0	356.448	-0.154	40	0		FBABRN
Cn1ccc(C(=O)N2CC[C@@H](n3cnc4c3ncnc4N)[C@](C)(O)C2)n1	ZINC000257310863	223062037	/nfs/dbraw/zinc/06/20/37/223062037.db2.gz	UGYROCLPFAQJCR-BDJLRTHQSA-N	0	0	356.390	-0.020	40	0		FBABRN
CC(=O)NCC(=O)N1CCC2(CC1)C[C@H](N(C)C(C)=O)[C@@](C)(O)CO2	ZINC000257311989	209995757	/nfs/dbraw/zinc/99/57/57/209995757.db2.gz	ULXVXBMKDQKDPW-HOCLYGCPSA-N	0	0	355.435	-0.498	40	0		FBABRN
Cc1ncncc1C(=O)N1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1	ZINC000257312687	206622173	/nfs/dbraw/zinc/62/21/73/206622173.db2.gz	UPCKNWMUJSYHGE-ZFWWWQNUSA-N	0	0	354.432	-0.214	40	0		FBABRN
O=C(c1ccc2[nH]cnc2c1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1	ZINC000257313774	223062191	/nfs/dbraw/zinc/06/21/91/223062191.db2.gz	UUBXMBLCFGMFTB-ZACQAIPSSA-N	0	0	360.414	-0.169	40	0		FBABRN
Cc1nonc1CC(=O)N(C)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257313961	223062028	/nfs/dbraw/zinc/06/20/28/223062028.db2.gz	UUVQLAQLLHEJFM-XJKCOSOUSA-N	0	0	351.407	-0.907	40	0		FBABRN
CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@@H](n2cnc3c2ncnc3N)[C@@H]1O	ZINC000257313962	484265867	/nfs/dbraw/zinc/26/58/67/484265867.db2.gz	UUVROWULJFWCNQ-JZSSXWJLSA-N	0	0	350.379	-0.032	40	0		FBABRN
CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)CCOC)[C@@H](O)[C@@H]1O	ZINC000257314507	484266295	/nfs/dbraw/zinc/26/62/95/484266295.db2.gz	UXHFDQPSUXNOSH-DMTCVQMQSA-N	0	0	364.406	-0.554	40	0		FBABRN
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2ccnnc2)C[C@H]1O	ZINC000257316115	526486900	/nfs/dbraw/zinc/48/69/00/526486900.db2.gz	VEEFSCQOPFNUJH-JHJVBQTASA-N	0	0	352.391	-0.062	40	0		FBABRN
O=C(Cc1ccc(O)cc1)N1CCOC[C@@](O)(CNC(=O)c2ccn[nH]2)C1	ZINC000257318616	484266755	/nfs/dbraw/zinc/26/67/55/484266755.db2.gz	VOSDHVAUQQDFCF-GOSISDBHSA-N	0	0	374.397	-0.322	40	0		FBABRN
O=C(Cc1ccc(O)cc1)N1CCOC[C@](O)(CNC(=O)c2ccn[nH]2)C1	ZINC000257318617	484267050	/nfs/dbraw/zinc/26/70/50/484267050.db2.gz	VOSDHVAUQQDFCF-SFHVURJKSA-N	0	0	374.397	-0.322	40	0		FBABRN
COc1ccc(C(=O)N[C@@H]2CC[C@@H](N3CCNC(=O)C3)[C@@H]2O)cc1F	ZINC000257319193	484266865	/nfs/dbraw/zinc/26/68/65/484266865.db2.gz	VREVHFAZAKRCPM-XJKCOSOUSA-N	0	0	351.378	-0.112	40	0		FBABRN
Cn1ccnc1C(=O)N1CC[C@@](C)(O)[C@H](n2cnc3c2ncnc3N)C1	ZINC000257320714	484266673	/nfs/dbraw/zinc/26/66/73/484266673.db2.gz	VYEXLFRKJNOOLR-QLJPJBMISA-N	0	0	356.390	-0.020	40	0		FBABRN
Cc1cc(C)nc(N2CC[C@@](O)(CNC(=O)c3cnccn3)[C@H](O)C2)n1	ZINC000257320781	132297267	/nfs/dbraw/zinc/29/72/67/132297267.db2.gz	VYPUJZCSARXWGO-RHSMWYFYSA-N	0	0	358.402	-0.384	40	0		FBABRN
CS(=O)(=O)N[C@@H]1CN(C(=O)c2ccnc(N3CCCC3)c2)C[C@H]1O	ZINC000257322242	223065525	/nfs/dbraw/zinc/06/55/25/223065525.db2.gz	WFEFHXWWCZAZMB-CHWSQXEVSA-N	0	0	354.432	-0.584	40	0		FBABRN
O=C(N[C@@H]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O)c1ccccc1F	ZINC000257322851	484265674	/nfs/dbraw/zinc/26/56/74/484265674.db2.gz	WHRFIAMXPVWMRI-QHSBEEBCSA-N	0	0	363.345	-0.057	40	0		FBABRN
CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)C3CCOCC3)[C@H]2O)CC1	ZINC000257324182	484266523	/nfs/dbraw/zinc/26/65/23/484266523.db2.gz	WNOOJIJJJLDMRZ-BRWVUGGUSA-N	0	0	353.463	-0.073	40	0		FBABRN
C[C@]1(O)COC2(CCN(c3ncccn3)CC2)C[C@@H]1NS(C)(=O)=O	ZINC000257324432	132297198	/nfs/dbraw/zinc/29/71/98/132297198.db2.gz	WOQYCGJLFOZZGL-JSGCOSHPSA-N	0	0	356.448	-0.095	40	0		FBABRN
CNC(=O)[C@@H]1CN(C(=O)COc2cccc(N(C)C)c2)CCN1C(C)=O	ZINC000257325247	209997855	/nfs/dbraw/zinc/99/78/55/209997855.db2.gz	WSCDSGOVCBCTLO-INIZCTEOSA-N	0	0	362.430	-0.063	40	0		FBABRN
CNC(=O)[C@H]1CN(C(=O)COc2cccc(N(C)C)c2)CCN1C(C)=O	ZINC000257325248	529926989	/nfs/dbraw/zinc/92/69/89/529926989.db2.gz	WSCDSGOVCBCTLO-MRXNPFEDSA-N	0	0	362.430	-0.063	40	0		FBABRN
CNC(=O)[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1	ZINC000257325433	484266451	/nfs/dbraw/zinc/26/64/51/484266451.db2.gz	WSXRVJSOFWNCKC-CYBMUJFWSA-N	0	0	357.407	-0.464	40	0		FBABRN
CNC(=O)[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1	ZINC000257325434	484266916	/nfs/dbraw/zinc/26/69/16/484266916.db2.gz	WSXRVJSOFWNCKC-ZDUSSCGKSA-N	0	0	357.407	-0.464	40	0		FBABRN
O=C(COc1ccccc1)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1	ZINC000257325544	484266130	/nfs/dbraw/zinc/26/61/30/484266130.db2.gz	WTKNQOXONPVBCB-NUJGCVRESA-N	0	0	350.415	-0.280	40	0		FBABRN
CN(C)c1cc(N2CCC[C@](O)(CNC(=O)Cn3ccnc3)C2)ncn1	ZINC000257326527	132297228	/nfs/dbraw/zinc/29/72/28/132297228.db2.gz	WXNPZRHABXBKLL-KRWDZBQOSA-N	0	0	359.434	-0.113	40	0		FBABRN
CN(C)c1cc(N2CCC[C@@](O)(CNC(=O)Cn3ccnc3)C2)ncn1	ZINC000257326528	132297326	/nfs/dbraw/zinc/29/73/26/132297326.db2.gz	WXNPZRHABXBKLL-QGZVFWFLSA-N	0	0	359.434	-0.113	40	0		FBABRN
CN(c1ccncn1)C1CC2(C1)CCN(C(=O)CNS(C)(=O)=O)C2	ZINC000257326639	210000038	/nfs/dbraw/zinc/00/00/38/210000038.db2.gz	WYAAGUNTFUAPEG-UHFFFAOYSA-N	0	0	353.448	-0.157	40	0		FBABRN
O=C(N[C@@H]1CN(Cc2cccc(OCCO)c2)C[C@H]1O)c1cnccn1	ZINC000257326780	534778685	/nfs/dbraw/zinc/77/86/85/534778685.db2.gz	WYODEGAORALDRC-IAGOWNOFSA-N	0	0	358.398	-0.177	40	0		FBABRN
CC(C)(C)OC(=O)N[C@@H]1C[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000257327888	526487319	/nfs/dbraw/zinc/48/73/19/526487319.db2.gz	XDDPFHDPEROLAB-MKHNBGRSSA-N	0	0	350.379	-0.032	40	0		FBABRN
CN(C)C(=O)C[C@H]1CC[C@@H](CNC(=O)c2cnc3[n-]ncn3c2=O)[N@@H+]1C	ZINC000257328505	223067462	/nfs/dbraw/zinc/06/74/62/223067462.db2.gz	XFXCUURZSFLMOM-MNOVXSKESA-N	0	0	361.406	-0.912	40	0		FBABRN
CS(=O)(=O)N1CCC[C@@]12CCN(CC(=O)N1CCCCC1)C[C@@H]2O	ZINC000257329227	484266012	/nfs/dbraw/zinc/26/60/12/484266012.db2.gz	XJADHFRFPDGQES-HOCLYGCPSA-N	0	0	359.492	-0.140	40	0		FBABRN
CN(C[C@@]1(O)CCN(c2cnccn2)C1)S(=O)(=O)c1cn(C)cn1	ZINC000257329260	529958286	/nfs/dbraw/zinc/95/82/86/529958286.db2.gz	XJCPHGTZFSNGGM-AWEZNQCLSA-N	0	0	352.420	-0.528	40	0		FBABRN
CN(C[C@]1(O)CCN(c2cnccn2)C1)S(=O)(=O)c1cn(C)cn1	ZINC000257329261	209999618	/nfs/dbraw/zinc/99/96/18/209999618.db2.gz	XJCPHGTZFSNGGM-CQSZACIVSA-N	0	0	352.420	-0.528	40	0		FBABRN
CN(C)S(=O)(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N(C)CCO	ZINC000257329346	210001043	/nfs/dbraw/zinc/00/10/43/210001043.db2.gz	XJMDSZIBBCTBIY-WCVJEAGWSA-N	0	0	373.475	-0.744	40	0		FBABRN
Cn1cnc(S(=O)(=O)N2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)c1	ZINC000257329453	484266586	/nfs/dbraw/zinc/26/65/86/484266586.db2.gz	XKBKSIBLJUFYET-SECBINFHSA-N	0	0	359.433	-0.275	40	0		FBABRN
Cn1cnc(S(=O)(=O)N2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)c1	ZINC000257329454	210000500	/nfs/dbraw/zinc/00/05/00/210000500.db2.gz	XKBKSIBLJUFYET-VIFPVBQESA-N	0	0	359.433	-0.275	40	0		FBABRN
CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)CNS(C)(=O)=O)C[C@H]12	ZINC000257329639	530037902	/nfs/dbraw/zinc/03/79/02/530037902.db2.gz	XKUZKLIFXLMWMR-FRRDWIJNSA-N	0	0	353.448	-0.301	40	0		FBABRN
CN(C)C(=O)[C@@H]1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CCN1C	ZINC000257330021	223068449	/nfs/dbraw/zinc/06/84/49/223068449.db2.gz	XMLBYRHMLKDWPM-HNNXBMFYSA-N	0	0	367.471	-0.137	40	0		FBABRN
CN(C)C(=O)[C@H]1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CCN1C	ZINC000257330022	223068012	/nfs/dbraw/zinc/06/80/12/223068012.db2.gz	XMLBYRHMLKDWPM-OAHLLOKOSA-N	0	0	367.471	-0.137	40	0		FBABRN
CC(=O)NC[C@]1(O)CCN(C(=O)c2cccc3c2OCCO3)C[C@H]1O	ZINC000257330837	206625296	/nfs/dbraw/zinc/62/52/96/206625296.db2.gz	XQFZPCDTNSQJOW-RHSMWYFYSA-N	0	0	350.371	-0.468	40	0		FBABRN
CCCCc1nc(CN2CCOC[C@](O)(CNS(C)(=O)=O)C2)c[nH]1	ZINC000257331759	529041082	/nfs/dbraw/zinc/04/10/82/529041082.db2.gz	XUDFSGYVKPSIRV-HNNXBMFYSA-N	0	0	360.480	-0.135	40	0		FBABRN
CCCCc1nc(CN2CCOC[C@@](O)(CNS(C)(=O)=O)C2)c[nH]1	ZINC000257331760	529041041	/nfs/dbraw/zinc/04/10/41/529041041.db2.gz	XUDFSGYVKPSIRV-OAHLLOKOSA-N	0	0	360.480	-0.135	40	0		FBABRN
NC(=O)Cn1cc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)ccc1=O	ZINC000257332646	484265792	/nfs/dbraw/zinc/26/57/92/484265792.db2.gz	XYDBTVNQADHLHU-HUUCEWRRSA-N	0	0	357.366	-0.402	40	0		FBABRN
CS(=O)(=O)NC[C@]1(O)CN(C(=O)c2c(F)cccc2F)C[C@H]1O	ZINC000257332659	533409319	/nfs/dbraw/zinc/40/93/19/533409319.db2.gz	XYEHABNNVGHCER-MFKMUULPSA-N	0	0	350.343	-0.938	40	0		FBABRN
CS(=O)(=O)N[C@@H]1CN(C(=O)c2cc(-c3cccnc3)n[nH]2)C[C@H]1O	ZINC000257333038	223069893	/nfs/dbraw/zinc/06/98/93/223069893.db2.gz	XZVDVEUMQXUKBS-CHWSQXEVSA-N	0	0	351.388	-0.794	40	0		FBABRN
CS(=O)(=O)NC[C@]1(O)CCN(C(=O)/C=C/c2ccccc2)C[C@H]1O	ZINC000257334176	484266406	/nfs/dbraw/zinc/26/64/06/484266406.db2.gz	YEVYKCQWOQAMFD-XIHNBGGYSA-N	0	0	354.428	-0.427	40	0		FBABRN
CC1=C(C(N)=O)CC2(CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)O1	ZINC000257334429	528084501	/nfs/dbraw/zinc/08/45/01/528084501.db2.gz	YFVCTXIWBLSPCN-UHFFFAOYSA-N	0	0	364.402	-0.142	40	0		FBABRN
CC(=O)NC[C@]1(O)CCN(C(=O)CCc2nc(C(C)C)no2)C[C@H]1O	ZINC000257334583	526797044	/nfs/dbraw/zinc/79/70/44/526797044.db2.gz	YGOBTEZXUXYIHR-MLGOLLRUSA-N	0	0	354.407	-0.414	40	0		FBABRN
CCc1nnsc1C(=O)N[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000257335125	484266269	/nfs/dbraw/zinc/26/62/69/484266269.db2.gz	YITZKRLBTDSDRX-NQBHXWOUSA-N	0	0	353.448	-0.456	40	0		FBABRN
CC(=O)N1[C@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]2C[C@]1(C)CO	ZINC000257335706	484266228	/nfs/dbraw/zinc/26/62/28/484266228.db2.gz	YLMLPUPLFOXULI-XYJFISCASA-N	0	0	353.463	-0.071	40	0		FBABRN
CC(=O)N1CC2(C[C@@]1(C)CO)CCN(C(=O)CN1CCOCC1)CC2	ZINC000257338589	526524789	/nfs/dbraw/zinc/52/47/89/526524789.db2.gz	YYCDHYTWJZAEMT-KRWDZBQOSA-N	0	0	353.463	-0.069	40	0		FBABRN
CC(=O)N1CC2(C[C@]1(C)CO)CCN(C(=O)CN1CCOCC1)CC2	ZINC000257338590	210003428	/nfs/dbraw/zinc/00/34/28/210003428.db2.gz	YYCDHYTWJZAEMT-QGZVFWFLSA-N	0	0	353.463	-0.069	40	0		FBABRN
O=C(c1n[nH]c(=O)c2ccccc21)N1CC[C@@](O)(CN2CCOCC2)C1	ZINC000257338621	484266881	/nfs/dbraw/zinc/26/68/81/484266881.db2.gz	YYEZPQOIMHPUQD-GOSISDBHSA-N	0	0	358.398	-0.168	40	0		FBABRN
O=C(c1n[nH]c(=O)c2ccccc21)N1CC[C@](O)(CN2CCOCC2)C1	ZINC000257338622	484266308	/nfs/dbraw/zinc/26/63/08/484266308.db2.gz	YYEZPQOIMHPUQD-SFHVURJKSA-N	0	0	358.398	-0.168	40	0		FBABRN
COCCN1C(=O)CO[C@H]2CN(C(=O)CCc3cc(OC)no3)C[C@@H]21	ZINC000257340885	223071997	/nfs/dbraw/zinc/07/19/97/223071997.db2.gz	ZHXRGOCHZYHQLE-STQMWFEESA-N	0	0	353.375	-0.300	40	0		FBABRN
COCC(=O)NC[C@@]1(O)COCCN(C(=O)c2ccc3[nH]cnc3c2)C1	ZINC000257341638	206628726	/nfs/dbraw/zinc/62/87/26/206628726.db2.gz	ZLGLNOPKMQCLIL-KRWDZBQOSA-N	0	0	362.386	-0.471	40	0		FBABRN
COCC(=O)NC[C@]1(O)COCCN(C(=O)c2ccc3[nH]cnc3c2)C1	ZINC000257341639	484266359	/nfs/dbraw/zinc/26/63/59/484266359.db2.gz	ZLGLNOPKMQCLIL-QGZVFWFLSA-N	0	0	362.386	-0.471	40	0		FBABRN
Cn1cnc(S(=O)(=O)N2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)c1	ZINC000257343145	534809406	/nfs/dbraw/zinc/80/94/06/534809406.db2.gz	ZRQYSWMQDOXMOA-GFCCVEGCSA-N	0	0	353.404	-0.062	40	0		FBABRN
Cn1cnc(S(=O)(=O)N2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)c1	ZINC000257343146	534808762	/nfs/dbraw/zinc/80/87/62/534808762.db2.gz	ZRQYSWMQDOXMOA-LBPRGKRZSA-N	0	0	353.404	-0.062	40	0		FBABRN
Cc1nccc(C(=O)N2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)n1	ZINC000257343363	484266831	/nfs/dbraw/zinc/26/68/31/484266831.db2.gz	ZSPGRYNATLEESO-ZFWWWQNUSA-N	0	0	354.432	-0.214	40	0		FBABRN
Cc1cc(S(N)(=O)=O)ccc1OCC(=O)N(C)[C@@H]1CC[C@@H](O)[C@@H]1O	ZINC000257344893	210005188	/nfs/dbraw/zinc/00/51/88/210005188.db2.gz	ZZBJLQXZWDQWKR-LALPHHSUSA-N	0	0	358.416	-0.636	40	0		FBABRN
COC(=O)COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1	ZINC000264079835	243375532	/nfs/dbraw/zinc/37/55/32/243375532.db2.gz	JIEKCVZYFQWIMG-UHFFFAOYSA-N	0	0	358.416	-0.151	40	0		FBABRN
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O	ZINC000283608180	244304635	/nfs/dbraw/zinc/30/46/35/244304635.db2.gz	UTJYSLMWSHBYES-JTQLQIEISA-N	0	0	360.413	-0.566	40	0		FBABRN
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O	ZINC000283608182	244307017	/nfs/dbraw/zinc/30/70/17/244307017.db2.gz	UTJYSLMWSHBYES-SNVBAGLBSA-N	0	0	360.413	-0.566	40	0		FBABRN
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCN2CCOCC2)cc1	ZINC000298318565	483912897	/nfs/dbraw/zinc/91/28/97/483912897.db2.gz	XYGXEVVMCRDJLV-CYBMUJFWSA-N	0	0	371.459	-0.190	40	0		FBABRN
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCOCC2)cc1	ZINC000298318570	536876354	/nfs/dbraw/zinc/87/63/54/536876354.db2.gz	XYGXEVVMCRDJLV-ZDUSSCGKSA-N	0	0	371.459	-0.190	40	0		FBABRN
Cn1nc2c(c1NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CCC2	ZINC000299287183	483862169	/nfs/dbraw/zinc/86/21/69/483862169.db2.gz	GUKYIZPHUKWLNC-UHFFFAOYSA-N	0	0	357.374	-0.705	40	0		FBABRN
CCNC(=O)NC[C@@H]1CC[C@@]2(COCCN(S(=O)(=O)N(C)C)C2)O1	ZINC000306123156	483881548	/nfs/dbraw/zinc/88/15/48/483881548.db2.gz	AFWGWMZGNBMUGI-GXTWGEPZSA-N	0	0	364.468	-0.638	40	0		FBABRN
CCNC(=O)NC[C@@H]1CC[C@]2(COCCN(S(=O)(=O)N(C)C)C2)O1	ZINC000306123157	483881938	/nfs/dbraw/zinc/88/19/38/483881938.db2.gz	AFWGWMZGNBMUGI-JSGCOSHPSA-N	0	0	364.468	-0.638	40	0		FBABRN
CCNC(=O)NC[C@H]1CC[C@]2(COCCN(S(=O)(=O)N(C)C)C2)O1	ZINC000306123158	483881853	/nfs/dbraw/zinc/88/18/53/483881853.db2.gz	AFWGWMZGNBMUGI-OCCSQVGLSA-N	0	0	364.468	-0.638	40	0		FBABRN
CCNC(=O)NC[C@H]1CC[C@@]2(COCCN(S(=O)(=O)N(C)C)C2)O1	ZINC000306123159	483881661	/nfs/dbraw/zinc/88/16/61/483881661.db2.gz	AFWGWMZGNBMUGI-TZMCWYRMSA-N	0	0	364.468	-0.638	40	0		FBABRN
CC(C)n1nc2n(c(=O)c1=O)C[C@@]1(CCN(C(=O)c3ccnn3C)C1)C2	ZINC000306124069	483881628	/nfs/dbraw/zinc/88/16/28/483881628.db2.gz	BEYRLROCXCJOES-KRWDZBQOSA-N	0	0	358.402	-0.192	40	0		FBABRN
CC(C)n1nc2n(c(=O)c1=O)C[C@]1(CCN(C(=O)c3ccnn3C)C1)C2	ZINC000306124070	483881852	/nfs/dbraw/zinc/88/18/52/483881852.db2.gz	BEYRLROCXCJOES-QGZVFWFLSA-N	0	0	358.402	-0.192	40	0		FBABRN
COCCNC(=O)c1cn2c(nc1=O)[C@@]1(CC2)CCN(C(=O)N(C)C)C1	ZINC000306124250	483881525	/nfs/dbraw/zinc/88/15/25/483881525.db2.gz	BKPBQWKINCNWHL-KRWDZBQOSA-N	0	0	363.418	-0.352	40	0		FBABRN
COCCNC(=O)c1cn2c(nc1=O)[C@]1(CC2)CCN(C(=O)N(C)C)C1	ZINC000306124251	483881681	/nfs/dbraw/zinc/88/16/81/483881681.db2.gz	BKPBQWKINCNWHL-QGZVFWFLSA-N	0	0	363.418	-0.352	40	0		FBABRN
Cn1ccc(C(=O)N2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)n1	ZINC000306125773	210048782	/nfs/dbraw/zinc/04/87/82/210048782.db2.gz	DBXCJQCFSPPKKY-QWRGUYRKSA-N	0	0	355.402	-0.152	40	0		FBABRN
Cn1cnc(S(=O)(=O)N2Cc3ccnn3[C@H](CN3CCCC3=O)C2)c1	ZINC000306127468	534809322	/nfs/dbraw/zinc/80/93/22/534809322.db2.gz	FZEABOXCISZTIS-CYBMUJFWSA-N	0	0	364.431	-0.015	40	0		FBABRN
Cn1cnc(S(=O)(=O)N2Cc3ccnn3[C@@H](CN3CCCC3=O)C2)c1	ZINC000306127469	206664521	/nfs/dbraw/zinc/66/45/21/206664521.db2.gz	FZEABOXCISZTIS-ZDUSSCGKSA-N	0	0	364.431	-0.015	40	0		FBABRN
CN(C)C(=O)c1ccc2nnc([C@@H]3CN(S(C)(=O)=O)CCN3C)n2c1	ZINC000306128309	210051007	/nfs/dbraw/zinc/05/10/07/210051007.db2.gz	GWVJAJOKSBBKRO-LBPRGKRZSA-N	0	0	366.447	-0.321	40	0		FBABRN
CC(C)n1nc2n(c(=O)c1=O)C[C@@]1(CCN(Cc3cnn(C)c3)C1)OC2	ZINC000306128863	483881631	/nfs/dbraw/zinc/88/16/31/483881631.db2.gz	HMZZLVRSZIXAGI-KRWDZBQOSA-N	0	0	360.418	-0.106	40	0		FBABRN
CC(C)n1nc2n(c(=O)c1=O)C[C@]1(CCN(Cc3cnn(C)c3)C1)OC2	ZINC000306128864	483881861	/nfs/dbraw/zinc/88/18/61/483881861.db2.gz	HMZZLVRSZIXAGI-QGZVFWFLSA-N	0	0	360.418	-0.106	40	0		FBABRN
O=S(=O)(NC[C@@H]1CN(c2ccc3nncn3n2)Cc2ccnn21)C1CC1	ZINC000306129581	132301366	/nfs/dbraw/zinc/30/13/66/132301366.db2.gz	IHINLMPIQDMIJS-GFCCVEGCSA-N	0	0	374.430	-0.036	40	0		FBABRN
O=S(=O)(NC[C@H]1CN(c2ccc3nncn3n2)Cc2ccnn21)C1CC1	ZINC000306129582	132301637	/nfs/dbraw/zinc/30/16/37/132301637.db2.gz	IHINLMPIQDMIJS-LBPRGKRZSA-N	0	0	374.430	-0.036	40	0		FBABRN
Cn1ccnc1CN1CCOC[C@@]2(CC[C@H](CNS(C)(=O)=O)O2)C1	ZINC000306129786	483881573	/nfs/dbraw/zinc/88/15/73/483881573.db2.gz	IMVZLGVJLMGETL-UKRRQHHQSA-N	0	0	358.464	-0.281	40	0		FBABRN
Cc1nc(C(=O)N2CC[C@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)cs1	ZINC000306129895	483881689	/nfs/dbraw/zinc/88/16/89/483881689.db2.gz	IPVHSQZBRPFBOV-HNNXBMFYSA-N	0	0	363.399	-0.478	40	0		FBABRN
Cc1nc(C(=O)N2CC[C@@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)cs1	ZINC000306129896	223108620	/nfs/dbraw/zinc/10/86/20/223108620.db2.gz	IPVHSQZBRPFBOV-OAHLLOKOSA-N	0	0	363.399	-0.478	40	0		FBABRN
COCCNC(=O)c1nnc2n1C[C@@H]1CN(C(=O)c3ccnn3C)C[C@@H]1C2	ZINC000306129957	203787444	/nfs/dbraw/zinc/78/74/44/203787444.db2.gz	ISMDWMZHXAWJJR-RYUDHWBXSA-N	0	0	373.417	-0.668	40	0		FBABRN
CCCNC(=O)c1nnc2n1C1(CCN(S(C)(=O)=O)CC1)COC2	ZINC000306129997	483881623	/nfs/dbraw/zinc/88/16/23/483881623.db2.gz	ITQYIOBZIKVJRC-UHFFFAOYSA-N	0	0	357.436	-0.301	40	0		FBABRN
COCCNC(=O)c1nnc2n1C[C@@H]1CN(C(=O)c3ccn(C)n3)C[C@@H]1C2	ZINC000306130039	206665754	/nfs/dbraw/zinc/66/57/54/206665754.db2.gz	IUPTWVNXPFBHMH-RYUDHWBXSA-N	0	0	373.417	-0.668	40	0		FBABRN
CCS(=O)(=O)NC[C@@H]1CN(c2ccc3nncn3n2)Cc2ccnn21	ZINC000306130267	132301504	/nfs/dbraw/zinc/30/15/04/132301504.db2.gz	JAMWEZKTYCMNQS-GFCCVEGCSA-N	0	0	362.419	-0.179	40	0		FBABRN
CCS(=O)(=O)NC[C@H]1CN(c2ccc3nncn3n2)Cc2ccnn21	ZINC000306130268	535673426	/nfs/dbraw/zinc/67/34/26/535673426.db2.gz	JAMWEZKTYCMNQS-LBPRGKRZSA-N	0	0	362.419	-0.179	40	0		FBABRN
CCn1nc(C)cc1C(=O)N1C[C@H]2OC[C@@H](CNS(C)(=O)=O)[C@H]2C1	ZINC000306131991	223108278	/nfs/dbraw/zinc/10/82/78/223108278.db2.gz	KVEIFEUUSSHJOF-YRGRVCCFSA-N	0	0	356.448	-0.152	40	0		FBABRN
CN(C)C(=O)CCC(=O)N1C[C@@]2(F)C(=O)N(c3cncnc3)C[C@@]2(F)C1	ZINC000306132097	223109905	/nfs/dbraw/zinc/10/99/05/223109905.db2.gz	KYIWAJBRZDEZER-JKSUJKDBSA-N	0	0	367.356	-0.050	40	0		FBABRN
CCOCC(=O)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O	ZINC000306132647	210054609	/nfs/dbraw/zinc/05/46/09/210054609.db2.gz	LOIQKWVZYOKECT-GFCCVEGCSA-N	0	0	355.416	-0.092	40	0		FBABRN
CCOCC(=O)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O	ZINC000306132648	210053420	/nfs/dbraw/zinc/05/34/20/210053420.db2.gz	LOIQKWVZYOKECT-LBPRGKRZSA-N	0	0	355.416	-0.092	40	0		FBABRN
Cn1nccc1C(=O)N1C[C@@H]2Cc3nnc(C(=O)NC4CC4)n3C[C@@H]2C1	ZINC000306133342	483881736	/nfs/dbraw/zinc/88/17/36/483881736.db2.gz	MIYAQUZBFZGUEZ-QWRGUYRKSA-N	0	0	355.402	-0.152	40	0		FBABRN
Cn1nccc1C(=O)N1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1	ZINC000306133711	483881644	/nfs/dbraw/zinc/88/16/44/483881644.db2.gz	MTGJHNVMRRLUMX-CHWSQXEVSA-N	0	0	370.413	-0.192	40	0		FBABRN
CC(C)NC(=O)c1cn2c(nc1=O)[C@@H]1CN(C(=O)c3ccnn3C)C[C@@H]1C2	ZINC000306134145	483881856	/nfs/dbraw/zinc/88/18/56/483881856.db2.gz	NEISJBDSKKTNSE-NWDGAFQWSA-N	0	0	370.413	-0.016	40	0		FBABRN
Cc1cc(N2CC3(C2)CN(C)[C@@H](C(=O)NC(C)C)CO3)n2ncnc2n1	ZINC000306134216	483881945	/nfs/dbraw/zinc/88/19/45/483881945.db2.gz	NFWMSVLHMQNUHV-CYBMUJFWSA-N	0	0	359.434	-0.153	40	0		FBABRN
Cc1cc(N2CC3(C2)CN(C)[C@H](C(=O)NC(C)C)CO3)n2ncnc2n1	ZINC000306134217	210054064	/nfs/dbraw/zinc/05/40/64/210054064.db2.gz	NFWMSVLHMQNUHV-ZDUSSCGKSA-N	0	0	359.434	-0.153	40	0		FBABRN
O=c1c([O-])nnc2n1C[C@@]1(CC[N@H+](Cc3ccc4c(c3)OCO4)C1)OC2	ZINC000306134381	483881803	/nfs/dbraw/zinc/88/18/03/483881803.db2.gz	NLMDNRVRGHLBJL-KRWDZBQOSA-N	0	0	358.354	-0.165	40	0		FBABRN
O=c1c([O-])nnc2n1C[C@]1(CC[N@H+](Cc3ccc4c(c3)OCO4)C1)OC2	ZINC000306134382	210054201	/nfs/dbraw/zinc/05/42/01/210054201.db2.gz	NLMDNRVRGHLBJL-QGZVFWFLSA-N	0	0	358.354	-0.165	40	0		FBABRN
COc1ncccc1C(=O)N1C[C@H]2OC[C@H](CNS(C)(=O)=O)[C@H]2C1	ZINC000306135708	210054069	/nfs/dbraw/zinc/05/40/69/210054069.db2.gz	OYDUAEBXCCZEBD-CYZMBNFOSA-N	0	0	355.416	-0.274	40	0		FBABRN
COc1ncccc1C(=O)N1C[C@H]2OC[C@@H](CNS(C)(=O)=O)[C@H]2C1	ZINC000306135709	483881739	/nfs/dbraw/zinc/88/17/39/483881739.db2.gz	OYDUAEBXCCZEBD-RAIGVLPGSA-N	0	0	355.416	-0.274	40	0		FBABRN
CCCNC(=O)c1cn2c(nc1=O)[C@@]1(CC2)CCN(S(C)(=O)=O)C1	ZINC000306135823	528470760	/nfs/dbraw/zinc/47/07/60/528470760.db2.gz	PCBRPHDPGKCCCW-HNNXBMFYSA-N	0	0	354.432	-0.310	40	0		FBABRN
CCCNC(=O)c1cn2c(nc1=O)[C@]1(CC2)CCN(S(C)(=O)=O)C1	ZINC000306135824	483881764	/nfs/dbraw/zinc/88/17/64/483881764.db2.gz	PCBRPHDPGKCCCW-OAHLLOKOSA-N	0	0	354.432	-0.310	40	0		FBABRN
COCCn1nc2n(c(=O)c1=O)CC1(C2)CCN(c2ccc(C)nn2)CC1	ZINC000306136078	132301841	/nfs/dbraw/zinc/30/18/41/132301841.db2.gz	PIJWZUIERJRORB-UHFFFAOYSA-N	0	0	372.429	-0.007	40	0		FBABRN
CCS(=O)(=O)NC[C@H]1CO[C@@H]2CN(c3cc(N(C)C)ncn3)C[C@H]12	ZINC000306136900	483881870	/nfs/dbraw/zinc/88/18/70/483881870.db2.gz	QGIICOPOQCCBTD-YNEHKIRRSA-N	0	0	355.464	-0.067	40	0		FBABRN
Cn1nccc1C(=O)NC[C@H]1CO[C@@H]2CN(c3ccc4nncn4n3)C[C@H]12	ZINC000306137059	483881749	/nfs/dbraw/zinc/88/17/49/483881749.db2.gz	QKLBWVNPKJNSRV-OUCADQQQSA-N	0	0	368.401	-0.261	40	0		FBABRN
Cn1nccc1C(=O)NC[C@@H]1CO[C@@H]2CN(c3ccc4nncn4n3)C[C@H]12	ZINC000306137060	206668235	/nfs/dbraw/zinc/66/82/35/206668235.db2.gz	QKLBWVNPKJNSRV-YRGRVCCFSA-N	0	0	368.401	-0.261	40	0		FBABRN
Cc1cnc(C(=O)N2Cc3ccnn3C[C@H](CNS(C)(=O)=O)C2)cn1	ZINC000306137740	483881616	/nfs/dbraw/zinc/88/16/16/483881616.db2.gz	REQSDKHSIRHDFW-GFCCVEGCSA-N	0	0	364.431	-0.197	40	0		FBABRN
Cc1cnc(C(=O)N2Cc3ccnn3C[C@@H](CNS(C)(=O)=O)C2)cn1	ZINC000306137741	483881789	/nfs/dbraw/zinc/88/17/89/483881789.db2.gz	REQSDKHSIRHDFW-LBPRGKRZSA-N	0	0	364.431	-0.197	40	0		FBABRN
CNC(=O)[C@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2ccnn21	ZINC000306138868	483881916	/nfs/dbraw/zinc/88/19/16/483881916.db2.gz	SJVKYDRATPLRTK-GFCCVEGCSA-N	0	0	352.420	-0.275	40	0		FBABRN
CNC(=O)[C@@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2ccnn21	ZINC000306138869	210055318	/nfs/dbraw/zinc/05/53/18/210055318.db2.gz	SJVKYDRATPLRTK-LBPRGKRZSA-N	0	0	352.420	-0.275	40	0		FBABRN
CC(C)Cn1nc2n(c(=O)c1=O)C[C@]1(CCN(Cc3cnn(C)c3)C1)OC2	ZINC000306139204	528743995	/nfs/dbraw/zinc/74/39/95/528743995.db2.gz	SSCHOYOPCJPIRW-GOSISDBHSA-N	0	0	374.445	-0.031	40	0		FBABRN
Cn1nccc1C(=O)N1CCOC[C@]2(CC[C@H](CNS(C)(=O)=O)O2)C1	ZINC000306139323	483881658	/nfs/dbraw/zinc/88/16/58/483881658.db2.gz	SURQVNXAOVKCPD-DOMZBBRYSA-N	0	0	372.447	-0.641	40	0		FBABRN
Cn1nccc1C(=O)N1CCOC[C@@]2(CC[C@H](CNS(C)(=O)=O)O2)C1	ZINC000306139324	203789758	/nfs/dbraw/zinc/78/97/58/203789758.db2.gz	SURQVNXAOVKCPD-IUODEOHRSA-N	0	0	372.447	-0.641	40	0		FBABRN
Cn1nccc1C(=O)N1CCOC[C@@]2(CC[C@@H](CNS(C)(=O)=O)O2)C1	ZINC000306139325	223113141	/nfs/dbraw/zinc/11/31/41/223113141.db2.gz	SURQVNXAOVKCPD-SWLSCSKDSA-N	0	0	372.447	-0.641	40	0		FBABRN
Cn1nccc1C(=O)N1CCOC[C@]2(CC[C@@H](CNS(C)(=O)=O)O2)C1	ZINC000306139326	210055294	/nfs/dbraw/zinc/05/52/94/210055294.db2.gz	SURQVNXAOVKCPD-WFASDCNBSA-N	0	0	372.447	-0.641	40	0		FBABRN
CC(C)n1nc2n(c(=O)c1=O)C[C@@]1(CCN(C(=O)c3ccn(C)n3)C1)C2	ZINC000306140545	210058722	/nfs/dbraw/zinc/05/87/22/210058722.db2.gz	UWYGSGWRVQEYED-KRWDZBQOSA-N	0	0	358.402	-0.192	40	0		FBABRN
CC(C)n1nc2n(c(=O)c1=O)C[C@]1(CCN(C(=O)c3ccn(C)n3)C1)C2	ZINC000306140546	483881825	/nfs/dbraw/zinc/88/18/25/483881825.db2.gz	UWYGSGWRVQEYED-QGZVFWFLSA-N	0	0	358.402	-0.192	40	0		FBABRN
CCS(=O)(=O)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O	ZINC000306140597	223112924	/nfs/dbraw/zinc/11/29/24/223112924.db2.gz	UYLFXBFPDOAFPO-LLVKDONJSA-N	0	0	361.445	-0.306	40	0		FBABRN
CCS(=O)(=O)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O	ZINC000306140598	483881831	/nfs/dbraw/zinc/88/18/31/483881831.db2.gz	UYLFXBFPDOAFPO-NSHDSACASA-N	0	0	361.445	-0.306	40	0		FBABRN
CN1CC2(CN(c3ccc4nncn4n3)C2)OC[C@@H]1C(=O)N1CCCC1	ZINC000306141453	210058415	/nfs/dbraw/zinc/05/84/15/210058415.db2.gz	VWTAWMZNPVFLLF-CYBMUJFWSA-N	0	0	357.418	-0.364	40	0		FBABRN
CN1CC2(CN(c3ccc4nncn4n3)C2)OC[C@H]1C(=O)N1CCCC1	ZINC000306141454	483881835	/nfs/dbraw/zinc/88/18/35/483881835.db2.gz	VWTAWMZNPVFLLF-ZDUSSCGKSA-N	0	0	357.418	-0.364	40	0		FBABRN
CN(C)C(=O)COC[C@H]1CN(c2ccc3nncn3n2)Cc2cncn21	ZINC000306141984	132302004	/nfs/dbraw/zinc/30/20/04/132302004.db2.gz	WLUYHVKQNTZTOL-CYBMUJFWSA-N	0	0	356.390	-0.013	40	0		FBABRN
CN(C)C(=O)COC[C@@H]1CN(c2ccc3nncn3n2)Cc2cncn21	ZINC000306141985	132301719	/nfs/dbraw/zinc/30/17/19/132301719.db2.gz	WLUYHVKQNTZTOL-ZDUSSCGKSA-N	0	0	356.390	-0.013	40	0		FBABRN
CC(C)CNC(=O)c1cn2c(nc1=O)[C@@]1(CC2)CCN(S(C)(=O)=O)C1	ZINC000306142443	210057550	/nfs/dbraw/zinc/05/75/50/210057550.db2.gz	WZLONBUWHRHSSD-INIZCTEOSA-N	0	0	368.459	-0.064	40	0		FBABRN
CC(C)CNC(=O)c1cn2c(nc1=O)[C@]1(CC2)CCN(S(C)(=O)=O)C1	ZINC000306142444	528065192	/nfs/dbraw/zinc/06/51/92/528065192.db2.gz	WZLONBUWHRHSSD-MRXNPFEDSA-N	0	0	368.459	-0.064	40	0		FBABRN
CCS(=O)(=O)CCN1C[C@H]2OC[C@H](CNC(=O)c3ccnn3C)[C@H]2C1	ZINC000306142898	483882197	/nfs/dbraw/zinc/88/21/97/483882197.db2.gz	XNQKKMUBDMVJAV-GZBFAFLISA-N	0	0	370.475	-0.469	40	0		FBABRN
Cn1nccc1C(=O)N1CC[C@@]2(Cc3nn(CC4CC4)c(=O)c(=O)n3C2)C1	ZINC000306143195	223115015	/nfs/dbraw/zinc/11/50/15/223115015.db2.gz	XVOIFBYIZUUREI-GOSISDBHSA-N	0	0	370.413	-0.363	40	0		FBABRN
Cn1nccc1C(=O)N1CC[C@]2(Cc3nn(CC4CC4)c(=O)c(=O)n3C2)C1	ZINC000306143196	210058213	/nfs/dbraw/zinc/05/82/13/210058213.db2.gz	XVOIFBYIZUUREI-SFHVURJKSA-N	0	0	370.413	-0.363	40	0		FBABRN
COCC(=O)N1CC2(C1)[C@@H](COc1nccc(C)n1)CCS2(=O)=O	ZINC000306143767	533053577	/nfs/dbraw/zinc/05/35/77/533053577.db2.gz	YLRFZHKDUNSXJH-GFCCVEGCSA-N	0	0	355.416	-0.174	40	0		FBABRN
COCC(=O)N1CC2(C1)[C@H](COc1nccc(C)n1)CCS2(=O)=O	ZINC000306143768	210058622	/nfs/dbraw/zinc/05/86/22/210058622.db2.gz	YLRFZHKDUNSXJH-LBPRGKRZSA-N	0	0	355.416	-0.174	40	0		FBABRN
O=C(c1cnccn1)N1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1	ZINC000306144056	483882350	/nfs/dbraw/zinc/88/23/50/483882350.db2.gz	YUVVGWNKCMNMMM-CHWSQXEVSA-N	0	0	368.397	-0.136	40	0		FBABRN
O=C(c1cnccn1)N1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1	ZINC000306144057	483882310	/nfs/dbraw/zinc/88/23/10/483882310.db2.gz	YUVVGWNKCMNMMM-OLZOCXBDSA-N	0	0	368.397	-0.136	40	0		FBABRN
O=C(c1cnccn1)N1C[C@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1	ZINC000306144058	203792612	/nfs/dbraw/zinc/79/26/12/203792612.db2.gz	YUVVGWNKCMNMMM-QWHCGFSZSA-N	0	0	368.397	-0.136	40	0		FBABRN
O=C(c1cnccn1)N1C[C@@H]2c3nn(CC4CCC4)c(=O)c(=O)n3C[C@@H]2C1	ZINC000306144059	210058176	/nfs/dbraw/zinc/05/81/76/210058176.db2.gz	YUVVGWNKCMNMMM-STQMWFEESA-N	0	0	368.397	-0.136	40	0		FBABRN
CCCNC(=O)N1CCC2(Cc3nn(CCOC)c(=O)c(=O)n3C2)CC1	ZINC000306144062	483882342	/nfs/dbraw/zinc/88/23/42/483882342.db2.gz	YVAIMOBZVYTREG-UHFFFAOYSA-N	0	0	365.434	-0.191	40	0		FBABRN
O=C([C@@H]1CCOC1)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O	ZINC000306145055	210059376	/nfs/dbraw/zinc/05/93/76/210059376.db2.gz	ZWEYWSNCVHTVGG-CHWSQXEVSA-N	0	0	367.427	-0.092	40	0		FBABRN
O=C([C@@H]1CCOC1)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O	ZINC000306145056	483882425	/nfs/dbraw/zinc/88/24/25/483882425.db2.gz	ZWEYWSNCVHTVGG-OLZOCXBDSA-N	0	0	367.427	-0.092	40	0		FBABRN
O=C([C@H]1CCOC1)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O	ZINC000306145057	534630957	/nfs/dbraw/zinc/63/09/57/534630957.db2.gz	ZWEYWSNCVHTVGG-QWHCGFSZSA-N	0	0	367.427	-0.092	40	0		FBABRN
O=C([C@H]1CCOC1)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O	ZINC000306145058	534630569	/nfs/dbraw/zinc/63/05/69/534630569.db2.gz	ZWEYWSNCVHTVGG-STQMWFEESA-N	0	0	367.427	-0.092	40	0		FBABRN
OCCCNc1nc(NCCN2CCOCC2)cc(-c2cccnc2)n1	ZINC000328961040	484114036	/nfs/dbraw/zinc/11/40/36/484114036.db2.gz	BAGQLAVHFXAGBQ-UHFFFAOYSA-N	0	0	358.446	-0.079	40	0		FBABRN
OCCCNc1nc(NCCN2CCOCC2)cc(-c2ccncc2)n1	ZINC000328963506	210126999	/nfs/dbraw/zinc/12/69/99/210126999.db2.gz	BPLWJIHMITVXMW-UHFFFAOYSA-N	0	0	358.446	-0.079	40	0		FBABRN
C[C@@H](CO)Nc1nc(NCCN2CCOCC2)cc(-c2cccnc2)n1	ZINC000329013079	534128710	/nfs/dbraw/zinc/12/87/10/534128710.db2.gz	MNVJAJKKLFNRNL-AWEZNQCLSA-N	0	0	358.446	-0.081	40	0		FBABRN
C[C@H](CO)Nc1nc(NCCN2CCOCC2)cc(-c2cccnc2)n1	ZINC000329013080	484113762	/nfs/dbraw/zinc/11/37/62/484113762.db2.gz	MNVJAJKKLFNRNL-CQSZACIVSA-N	0	0	358.446	-0.081	40	0		FBABRN
C[NH+]1CCN(CCNc2cc(-c3ccccn3)nc(NCC(=O)[O-])n2)CC1	ZINC000329013560	529771376	/nfs/dbraw/zinc/77/13/76/529771376.db2.gz	MQPLJWCJYOLHRC-UHFFFAOYSA-N	0	0	371.445	-0.462	40	0		FBABRN
C[C@@H](CO)Nc1nc(NCCN2CCOCC2)cc(-c2ccccn2)n1	ZINC000329019984	534130300	/nfs/dbraw/zinc/13/03/00/534130300.db2.gz	OAEFLELBVCLKNG-AWEZNQCLSA-N	0	0	358.446	-0.081	40	0		FBABRN
C[C@H](CO)Nc1nc(NCCN2CCOCC2)cc(-c2ccccn2)n1	ZINC000329019986	484114931	/nfs/dbraw/zinc/11/49/31/484114931.db2.gz	OAEFLELBVCLKNG-CQSZACIVSA-N	0	0	358.446	-0.081	40	0		FBABRN
C[NH+]1CCN(CCNc2cc(-c3cccnc3)nc(NCC(=O)[O-])n2)CC1	ZINC000329023905	523901927	/nfs/dbraw/zinc/90/19/27/523901927.db2.gz	OWFSIKQVHCJZTQ-UHFFFAOYSA-N	0	0	371.445	-0.462	40	0		FBABRN
OCCCNc1nc(NCCN2CCOCC2)cc(-c2ccccn2)n1	ZINC000329033278	484113988	/nfs/dbraw/zinc/11/39/88/484113988.db2.gz	QSUGROKXKMCEJS-UHFFFAOYSA-N	0	0	358.446	-0.079	40	0		FBABRN
C[C@@H](CO)Nc1nc(NCCN2CCOCC2)cc(-c2ccncc2)n1	ZINC000329043764	484114846	/nfs/dbraw/zinc/11/48/46/484114846.db2.gz	SUTVZNDAVRZTQA-AWEZNQCLSA-N	0	0	358.446	-0.081	40	0		FBABRN
C[C@H](CO)Nc1nc(NCCN2CCOCC2)cc(-c2ccncc2)n1	ZINC000329043766	203848748	/nfs/dbraw/zinc/84/87/48/203848748.db2.gz	SUTVZNDAVRZTQA-CQSZACIVSA-N	0	0	358.446	-0.081	40	0		FBABRN
C[NH+]1CCN(CCNc2cc(C(F)(F)F)nc(NCC(=O)[O-])n2)CC1	ZINC000329052516	210133145	/nfs/dbraw/zinc/13/31/45/210133145.db2.gz	VBZDKLCUSZORCX-UHFFFAOYSA-N	0	0	362.356	-0.505	40	0		FBABRN
C[NH+]1CCN(CCNc2cc(-c3ccncc3)nc(NCC(=O)[O-])n2)CC1	ZINC000329068318	210134835	/nfs/dbraw/zinc/13/48/35/210134835.db2.gz	YPHHZYDBJTUIKY-UHFFFAOYSA-N	0	0	371.445	-0.462	40	0		FBABRN
Cn1c2ncn(CCC(=O)N3CCC[C@@H]3c3cc[nH]n3)c2c(=O)n(C)c1=O	ZINC000329105879	484212525	/nfs/dbraw/zinc/21/25/25/484212525.db2.gz	OOHWTZWXPMTBNE-GFCCVEGCSA-N	0	0	371.401	-0.089	40	0		FBABRN
Cn1c2ncn(CCC(=O)N3CCC[C@H]3c3cc[nH]n3)c2c(=O)n(C)c1=O	ZINC000329105880	484215111	/nfs/dbraw/zinc/21/51/11/484215111.db2.gz	OOHWTZWXPMTBNE-LBPRGKRZSA-N	0	0	371.401	-0.089	40	0		FBABRN
Cn1cc(N2CC[C@H](N[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)C2=O)cn1	ZINC000329114815	244700144	/nfs/dbraw/zinc/70/01/44/244700144.db2.gz	HYDAQOMFXCEWDT-WOSRLPQWSA-N	0	0	357.418	-0.180	40	0		FBABRN
Cn1cc(N2CC[C@@H](N[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)C2=O)cn1	ZINC000329114816	484214038	/nfs/dbraw/zinc/21/40/38/484214038.db2.gz	HYDAQOMFXCEWDT-XJKCOSOUSA-N	0	0	357.418	-0.180	40	0		FBABRN
CNC(=O)[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1	ZINC000330844294	536397829	/nfs/dbraw/zinc/39/78/29/536397829.db2.gz	XLYOUJRPWVUICU-CYBMUJFWSA-N	0	0	355.416	-0.476	40	0		FBABRN
CNC(=O)[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1	ZINC000330844295	483955396	/nfs/dbraw/zinc/95/53/96/483955396.db2.gz	XLYOUJRPWVUICU-ZDUSSCGKSA-N	0	0	355.416	-0.476	40	0		FBABRN
COCCn1cc(CNC(=O)N2CCCN(S(C)(=O)=O)CC2)cn1	ZINC000331460381	244849658	/nfs/dbraw/zinc/84/96/58/244849658.db2.gz	IFPSLUMUQKWYOY-UHFFFAOYSA-N	0	0	359.452	-0.294	40	0		FBABRN
COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(N)=O)c(OC)c2)C1=O	ZINC000408549771	483402007	/nfs/dbraw/zinc/40/20/07/483402007.db2.gz	YTUSVXHTCKCGLA-BJMVGYQFSA-N	0	0	363.326	-0.375	40	0		FBABRN
C[C@@H](Oc1ccc(S(=O)(=O)NCCCO)cc1)C(=O)N1CCOCC1	ZINC000408587384	483407539	/nfs/dbraw/zinc/40/75/39/483407539.db2.gz	BQUGBJXWNYDFAV-CYBMUJFWSA-N	0	0	372.443	-0.027	40	0		FBABRN
C[C@H](Oc1ccc(S(=O)(=O)NCCCO)cc1)C(=O)N1CCOCC1	ZINC000408587394	263475983	/nfs/dbraw/zinc/47/59/83/263475983.db2.gz	BQUGBJXWNYDFAV-ZDUSSCGKSA-N	0	0	372.443	-0.027	40	0		FBABRN
C[C@@H](Oc1ccc(S(=O)(=O)NCCO)cc1)C(=O)N1CCOCC1	ZINC000408590973	483408960	/nfs/dbraw/zinc/40/89/60/483408960.db2.gz	HOBJVBLXKYUXNP-GFCCVEGCSA-N	0	0	358.416	-0.417	40	0		FBABRN
C[C@H](Oc1ccc(S(=O)(=O)NCCO)cc1)C(=O)N1CCOCC1	ZINC000408590978	483408761	/nfs/dbraw/zinc/40/87/61/483408761.db2.gz	HOBJVBLXKYUXNP-LBPRGKRZSA-N	0	0	358.416	-0.417	40	0		FBABRN
C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCN1CCOCC1	ZINC000408591052	483408589	/nfs/dbraw/zinc/40/85/89/483408589.db2.gz	IPQCUEWNCRYWDK-GFCCVEGCSA-N	0	0	359.423	-0.059	40	0		FBABRN
C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCN1CCOCC1	ZINC000408591057	483409074	/nfs/dbraw/zinc/40/90/74/483409074.db2.gz	IPQCUEWNCRYWDK-LBPRGKRZSA-N	0	0	359.423	-0.059	40	0		FBABRN
COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1	ZINC000408602100	483409851	/nfs/dbraw/zinc/40/98/51/483409851.db2.gz	HSRJQZHFOBJVNM-UHFFFAOYSA-N	0	0	371.459	-0.236	40	0		FBABRN
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1	ZINC000408606952	263480703	/nfs/dbraw/zinc/48/07/03/263480703.db2.gz	PMICVTZITNRLML-CYBMUJFWSA-N	0	0	371.459	-0.190	40	0		FBABRN
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1	ZINC000408606957	263481063	/nfs/dbraw/zinc/48/10/63/263481063.db2.gz	PMICVTZITNRLML-ZDUSSCGKSA-N	0	0	371.459	-0.190	40	0		FBABRN
COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1	ZINC000408608559	483409605	/nfs/dbraw/zinc/40/96/05/483409605.db2.gz	RJDYOVIJRLLNRC-UHFFFAOYSA-N	0	0	358.416	-0.151	40	0		FBABRN
COCCNS(=O)(=O)c1ccc(OCC(=O)NCCO)c(Cl)c1	ZINC000408636135	483412541	/nfs/dbraw/zinc/41/25/41/483412541.db2.gz	LOJHNMCXCDMHSS-UHFFFAOYSA-N	0	0	366.823	-0.248	40	0		FBABRN
CN(Cc1ccc(OCC(=O)N2CCN(C=O)CC2)cc1)S(C)(=O)=O	ZINC000408706048	483420798	/nfs/dbraw/zinc/42/07/98/483420798.db2.gz	UCKQJWFEKBOTAA-UHFFFAOYSA-N	0	0	369.443	-0.243	40	0		FBABRN
O=C(NCCN1CCOCC1)C(=O)Nc1ccccc1C(=O)NC1CC1	ZINC000408708889	263488153	/nfs/dbraw/zinc/48/81/53/263488153.db2.gz	MWEVBGMEKWPZSD-UHFFFAOYSA-N	0	0	360.414	-0.034	40	0		FBABRN
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CSc1nnc(C)n1N	ZINC000409001113	263516799	/nfs/dbraw/zinc/51/67/99/263516799.db2.gz	GYONJLLHFZLDFX-GFCCVEGCSA-N	0	0	365.415	-0.001	40	0		FBABRN
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSc1nnc(C)n1N	ZINC000409001114	484216751	/nfs/dbraw/zinc/21/67/51/484216751.db2.gz	GYONJLLHFZLDFX-LBPRGKRZSA-N	0	0	365.415	-0.001	40	0		FBABRN
Cn1c(CN2CCOCC2)nnc1SCC(=O)N1CCN(C)CC1	ZINC000409216076	263542512	/nfs/dbraw/zinc/54/25/12/263542512.db2.gz	HTLMZJJAMGIUHJ-UHFFFAOYSA-N	0	0	354.480	-0.487	40	0		FBABRN
CCOC(=O)CN1c2ccccc2C(=C2C(=O)NC(=S)NC2=O)C1=O	ZINC000409388632	484256756	/nfs/dbraw/zinc/25/67/56/484256756.db2.gz	NARCLQCNVAPPNP-UHFFFAOYSA-N	0	0	359.363	-0.119	40	0		FBABRN
CC(=O)N1CCN(C[C@@H]2OC[C@H](NC(=O)c3cccs3)[C@H]2O)CC1	ZINC000514288363	483887655	/nfs/dbraw/zinc/88/76/55/483887655.db2.gz	BCBQSKRNKCBEFB-KCQAQPDRSA-N	0	0	353.444	-0.230	40	0	biogenic,in-vitro	FBABRN
O=C(Cc1ccccc1)N1CC2(C1)CN(C(=O)CCO)C[C@@H]1C[C@@H](O)CN12	ZINC000514288462	483887467	/nfs/dbraw/zinc/88/74/67/483887467.db2.gz	ANHKYIANDUBYGT-DLBZAZTESA-N	0	0	373.453	-0.530	40	0	biogenic,in-vitro	FBABRN
O=C(Cc1ccccc1)N1CC2(C1)CN(C(=O)CCO)C[C@H]1C[C@@H](O)CN12	ZINC000514288463	483887639	/nfs/dbraw/zinc/88/76/39/483887639.db2.gz	ANHKYIANDUBYGT-IAGOWNOFSA-N	0	0	373.453	-0.530	40	0	biogenic,in-vitro	FBABRN
O=S(=O)(N[C@H]1CO[C@@H](CN2CCOCC2)[C@@H]1O)c1cccc(F)c1	ZINC000514288525	483887466	/nfs/dbraw/zinc/88/74/66/483887466.db2.gz	HHABKTKMINNSOE-SOUVJXGZSA-N	0	0	360.407	-0.436	40	0	biogenic,in-vitro	FBABRN
CC(=O)N1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccnc3)[C@H]2O)CC1	ZINC000514289042	483887505	/nfs/dbraw/zinc/88/75/05/483887505.db2.gz	MNIPOMXZTBEKHI-HRCADAONSA-N	0	0	363.418	-0.505	40	0	biogenic,in-vitro	FBABRN
CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)C3CCOCC3)[C@H]2O)CC1	ZINC000514289073	483887670	/nfs/dbraw/zinc/88/76/70/483887670.db2.gz	NEQUOMKJZGUAHZ-YESZJQIVSA-N	0	0	369.462	-0.788	40	0	biogenic,in-vitro	FBABRN
CC(=O)N1CCN(C[C@@H]2OC[C@H](NC(=O)c3cccc(F)c3)[C@H]2O)CC1	ZINC000514289100	483887794	/nfs/dbraw/zinc/88/77/94/483887794.db2.gz	ONRNPMRLQPMUKG-YESZJQIVSA-N	0	0	365.405	-0.152	40	0	biogenic,in-vitro	FBABRN
CC(=O)NCCC(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)C(C)C)C2)C1	ZINC000514289169	483887524	/nfs/dbraw/zinc/88/75/24/483887524.db2.gz	JAAHAKHTARQZGZ-HUUCEWRRSA-N	0	0	366.462	-0.973	40	0	biogenic,in-vitro	FBABRN
CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)C(C)C)C2)C1	ZINC000514289171	483887416	/nfs/dbraw/zinc/88/74/16/483887416.db2.gz	JAAHAKHTARQZGZ-LSDHHAIUSA-N	0	0	366.462	-0.973	40	0	biogenic,in-vitro	FBABRN
O=C(CCO)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1C[C@@H](O)CN12	ZINC000514289183	483887645	/nfs/dbraw/zinc/88/76/45/483887645.db2.gz	JAQBOOQMBOQLLR-HZPDHXFCSA-N	0	0	359.426	-0.459	40	0	biogenic,in-vitro	FBABRN
O=C(N1C[C@H]2NS(=O)(=O)c3cccnc3O[C@H]2C1)N1CCOCC1	ZINC000514289185	483887450	/nfs/dbraw/zinc/88/74/50/483887450.db2.gz	FWFOBYXRSVISRV-MNOVXSKESA-N	0	0	354.388	-0.743	40	0	biogenic,in-vitro	FBABRN
O=C(CCO)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514289186	483887607	/nfs/dbraw/zinc/88/76/07/483887607.db2.gz	JAQBOOQMBOQLLR-JKSUJKDBSA-N	0	0	359.426	-0.459	40	0	biogenic,in-vitro	FBABRN
O=C(N1C[C@H]2NS(=O)(=O)c3ccccc3O[C@H]2C1)N1CCOCC1	ZINC000514289195	263775189	/nfs/dbraw/zinc/77/51/89/263775189.db2.gz	FWNCHYUKPMTXOZ-YPMHNXCESA-N	0	0	353.400	-0.138	40	0	biogenic,in-vitro	FBABRN
O=C(CCO)N1C[C@H]2C[C@@H](O)CN2C2(CN(CCc3ccccc3)C2)C1	ZINC000514289232	483887517	/nfs/dbraw/zinc/88/75/17/483887517.db2.gz	JXWYFXTXZSRMEV-QZTJIDSGSA-N	0	0	359.470	-0.057	40	0	biogenic,in-vitro	FBABRN
O=C(CCO)N1C[C@@H]2C[C@@H](O)CN2C2(CN(CCc3ccccc3)C2)C1	ZINC000514289234	483887683	/nfs/dbraw/zinc/88/76/83/483887683.db2.gz	JXWYFXTXZSRMEV-ZWKOTPCHSA-N	0	0	359.470	-0.057	40	0	biogenic,in-vitro	FBABRN
CC(=O)N1CCCN(C[C@@H]2OC[C@H](NC(=O)NC3CCC3)[C@H]2O)CC1	ZINC000514289607	483886966	/nfs/dbraw/zinc/88/69/66/483886966.db2.gz	WNXWYCRCYBZMTJ-HRCADAONSA-N	0	0	354.451	-0.479	40	0	biogenic,in-vitro	FBABRN
Cc1ccc(S(=O)(=O)N[C@H]2CO[C@@H](CN3CCOCC3)[C@@H]2O)cc1	ZINC000514289634	483887066	/nfs/dbraw/zinc/88/70/66/483887066.db2.gz	XKXHHCFKOZDIIJ-HRCADAONSA-N	0	0	356.444	-0.266	40	0	biogenic,in-vitro	FBABRN
CC(=O)NCCC(=O)N1CC2(C1)CN(C(=O)C(C)C)C[C@H]1C[C@@H](O)CN12	ZINC000514290106	483887676	/nfs/dbraw/zinc/88/76/76/483887676.db2.gz	TUMMEYYMLXBGNT-HUUCEWRRSA-N	0	0	366.462	-0.973	40	0	biogenic,in-vitro	FBABRN
CC(=O)NCCC(=O)N1CC2(C1)CN(C(=O)C(C)C)C[C@@H]1C[C@@H](O)CN12	ZINC000514290108	483887470	/nfs/dbraw/zinc/88/74/70/483887470.db2.gz	TUMMEYYMLXBGNT-LSDHHAIUSA-N	0	0	366.462	-0.973	40	0	biogenic,in-vitro	FBABRN
CC(=O)NCCC(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(C3CCC3)C2)C1	ZINC000514290212	483887493	/nfs/dbraw/zinc/88/74/93/483887493.db2.gz	VDGJNYTVBGHMQM-HZPDHXFCSA-N	0	0	350.463	-0.603	40	0	biogenic,in-vitro	FBABRN
CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCC3)C2)C1	ZINC000514290214	483887473	/nfs/dbraw/zinc/88/74/73/483887473.db2.gz	VDGJNYTVBGHMQM-JKSUJKDBSA-N	0	0	350.463	-0.603	40	0	biogenic,in-vitro	FBABRN
CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCC3)C2)C1	ZINC000514290402	483888108	/nfs/dbraw/zinc/88/81/08/483888108.db2.gz	YEPIPNMQRXOARZ-DLBZAZTESA-N	0	0	364.490	-0.213	40	0	biogenic,in-vitro	FBABRN
CC(=O)NCCC(=O)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCC3)C2)C1	ZINC000514290403	483888177	/nfs/dbraw/zinc/88/81/77/483888177.db2.gz	YEPIPNMQRXOARZ-IAGOWNOFSA-N	0	0	364.490	-0.213	40	0	biogenic,in-vitro	FBABRN
O=C(CCO)N1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@H]1C[C@@H](O)CN12	ZINC000514290424	263776700	/nfs/dbraw/zinc/77/67/00/263776700.db2.gz	ZCBKUMKLNJXUSU-IAGOWNOFSA-N	0	0	373.453	-0.530	40	0	biogenic,in-vitro	FBABRN
CCCS(=O)(=O)N1C[C@H]2OC[C@H](CNC(=O)c3ccnn3C)[C@H]2C1	ZINC000575403319	484090009	/nfs/dbraw/zinc/09/00/09/484090009.db2.gz	HGHRSDQCSFPEHA-OUCADQQQSA-N	0	0	356.448	-0.164	40	0		FBABRN
CNC(=O)[C@@H]1COC2(CN(C(=O)c3n[nH]c4c3CCC4)C2)CN1CC1CC1	ZINC000575403886	484089901	/nfs/dbraw/zinc/08/99/01/484089901.db2.gz	IFXDFOXWCIYVDS-HNNXBMFYSA-N	0	0	373.457	-0.050	40	0		FBABRN
CNC(=O)[C@H]1COC2(CN(C(=O)c3n[nH]c4c3CCC4)C2)CN1CC1CC1	ZINC000575403887	484090931	/nfs/dbraw/zinc/09/09/31/484090931.db2.gz	IFXDFOXWCIYVDS-OAHLLOKOSA-N	0	0	373.457	-0.050	40	0		FBABRN
COCCn1ccc(C(=O)N2CC3(C2)CN(C)[C@H](C(=O)N(C)C)CO3)n1	ZINC000575404291	484090107	/nfs/dbraw/zinc/09/01/07/484090107.db2.gz	AWZUITMDXKPJFW-AWEZNQCLSA-N	0	0	365.434	-0.857	40	0		FBABRN
COCCn1ccc(C(=O)N2CC3(C2)CN(C)[C@@H](C(=O)N(C)C)CO3)n1	ZINC000575404310	484089657	/nfs/dbraw/zinc/08/96/57/484089657.db2.gz	AWZUITMDXKPJFW-CQSZACIVSA-N	0	0	365.434	-0.857	40	0		FBABRN
Cn1nccc1C(=O)NC[C@H]1CO[C@@H]2CN(C(=O)c3cnccn3)C[C@H]12	ZINC000575404384	484089989	/nfs/dbraw/zinc/08/99/89/484089989.db2.gz	NHLUZCWURRGHBP-YWPYICTPSA-N	0	0	356.386	-0.273	40	0		FBABRN
CCOCC(=O)N1CC2(C1)CN(C)[C@H](C(=O)NCc1cccnc1)CO2	ZINC000575404425	484089717	/nfs/dbraw/zinc/08/97/17/484089717.db2.gz	CDOLABIRHLIVQO-HNNXBMFYSA-N	0	0	362.430	-0.354	40	0		FBABRN
CCOCC(=O)N1CC2(C1)CN(C)[C@@H](C(=O)NCc1cccnc1)CO2	ZINC000575404426	484090520	/nfs/dbraw/zinc/09/05/20/484090520.db2.gz	CDOLABIRHLIVQO-OAHLLOKOSA-N	0	0	362.430	-0.354	40	0		FBABRN
COCCNC(=O)[C@@H]1COC2(CN(C(=O)c3cccc(O)c3)C2)CN1C	ZINC000575404494	484089944	/nfs/dbraw/zinc/08/99/44/484089944.db2.gz	NKJYMYKDJWQKDN-HNNXBMFYSA-N	0	0	363.414	-0.320	40	0		FBABRN
COCCNC(=O)[C@H]1COC2(CN(C(=O)c3cccc(O)c3)C2)CN1C	ZINC000575404495	484090265	/nfs/dbraw/zinc/09/02/65/484090265.db2.gz	NKJYMYKDJWQKDN-OAHLLOKOSA-N	0	0	363.414	-0.320	40	0		FBABRN
O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3cnccn3)C[C@H]12)c1cnccn1	ZINC000575405493	484089684	/nfs/dbraw/zinc/08/96/84/484089684.db2.gz	SYFMIXAEBBFOLS-YWPYICTPSA-N	0	0	354.370	-0.216	40	0		FBABRN
Cc1ccc(CN2[C@@H]3CS(=O)(=O)C[C@@H]3N[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000575420255	484540089	/nfs/dbraw/zinc/54/00/89/484540089.db2.gz	AAASGZIOWXGHRD-CAOSSQGBSA-N	0	0	370.496	-0.269	40	0		FBABRN
Cc1ccc(CN2[C@@H]3CS(=O)(=O)C[C@@H]3N[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000575420257	484540885	/nfs/dbraw/zinc/54/08/85/484540885.db2.gz	AAASGZIOWXGHRD-QKPAOTATSA-N	0	0	370.496	-0.269	40	0		FBABRN
Cc1ccc(CN2[C@H]3CS(=O)(=O)C[C@H]3N[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000575420258	484540123	/nfs/dbraw/zinc/54/01/23/484540123.db2.gz	AAASGZIOWXGHRD-SYMSYNOKSA-N	0	0	370.496	-0.269	40	0		FBABRN
Cc1ccc(CN2[C@H]3CS(=O)(=O)C[C@@H]3N[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000575420259	484540476	/nfs/dbraw/zinc/54/04/76/484540476.db2.gz	AAASGZIOWXGHRD-YHUYYLMFSA-N	0	0	370.496	-0.269	40	0		FBABRN
O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@H]3N(Cc3ccccc3)[C@@H]2C1	ZINC000575420261	484540250	/nfs/dbraw/zinc/54/02/50/484540250.db2.gz	ABRNMSCFNHMWNH-LXTVHRRPSA-N	0	0	356.469	-0.577	40	0		FBABRN
O=S(=O)(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc(Br)cc1	ZINC000575420264	484540290	/nfs/dbraw/zinc/54/02/90/484540290.db2.gz	BKSFLRXZHLVXDA-NXEZZACHSA-N	0	0	370.246	-0.115	40	0		FBABRN
O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@H]3N(Cc3ccccc3)[C@H]2C1	ZINC000575420265	484540974	/nfs/dbraw/zinc/54/09/74/484540974.db2.gz	ABRNMSCFNHMWNH-NMWPEEMBSA-N	0	0	356.469	-0.577	40	0		FBABRN
O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@@H]3N(Cc3ccccc3)[C@@H]2C1	ZINC000575420266	484540593	/nfs/dbraw/zinc/54/05/93/484540593.db2.gz	ABRNMSCFNHMWNH-PYHGIMPFSA-N	0	0	356.469	-0.577	40	0		FBABRN
O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@@H]3N(Cc3ccccc3)[C@H]2C1	ZINC000575420267	484540465	/nfs/dbraw/zinc/54/04/65/484540465.db2.gz	ABRNMSCFNHMWNH-XGUBFFRZSA-N	0	0	356.469	-0.577	40	0		FBABRN
O=S(=O)(N[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(Br)cc1	ZINC000575420269	484540433	/nfs/dbraw/zinc/54/04/33/484540433.db2.gz	BKSFLRXZHLVXDA-UWVGGRQHSA-N	0	0	370.246	-0.115	40	0		FBABRN
O=S(=O)(N[C@H]1CS(=O)(=O)C[C@H]1O)c1ccc(Br)cc1	ZINC000575420270	484540150	/nfs/dbraw/zinc/54/01/50/484540150.db2.gz	BKSFLRXZHLVXDA-VHSXEESVSA-N	0	0	370.246	-0.115	40	0		FBABRN
O=S(=O)(N[C@@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(Br)cc1	ZINC000575420271	484540963	/nfs/dbraw/zinc/54/09/63/484540963.db2.gz	BKSFLRXZHLVXDA-ZJUUUORDSA-N	0	0	370.246	-0.115	40	0		FBABRN
COc1ccc(C(=O)CN(CCO)[C@H]2CS(=O)(=O)C[C@H]2O)cc1OC	ZINC000575420373	484540812	/nfs/dbraw/zinc/54/08/12/484540812.db2.gz	BJNUYBOLJKMJTM-GXTWGEPZSA-N	0	0	373.427	-0.661	40	0		FBABRN
COc1ccc(C(=O)CN(CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1OC	ZINC000575420374	484540440	/nfs/dbraw/zinc/54/04/40/484540440.db2.gz	BJNUYBOLJKMJTM-JSGCOSHPSA-N	0	0	373.427	-0.661	40	0		FBABRN
COc1ccc(C(=O)CN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1OC	ZINC000575420513	484540418	/nfs/dbraw/zinc/54/04/18/484540418.db2.gz	BJNUYBOLJKMJTM-OCCSQVGLSA-N	0	0	373.427	-0.661	40	0		FBABRN
COc1ccc(C(=O)CN(CCO)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1OC	ZINC000575420514	484540352	/nfs/dbraw/zinc/54/03/52/484540352.db2.gz	BJNUYBOLJKMJTM-TZMCWYRMSA-N	0	0	373.427	-0.661	40	0		FBABRN
COc1ccc(C(=O)CNCCN[C@H]2CS(=O)(=O)C[C@H]2O)cc1OC	ZINC000575420519	484540859	/nfs/dbraw/zinc/54/08/59/484540859.db2.gz	BLXYDMRFGBRSAT-GXTWGEPZSA-N	0	0	372.443	-0.776	40	0		FBABRN
COc1ccc(C(=O)CNCCN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1OC	ZINC000575420520	484540904	/nfs/dbraw/zinc/54/09/04/484540904.db2.gz	BLXYDMRFGBRSAT-JSGCOSHPSA-N	0	0	372.443	-0.776	40	0		FBABRN
COc1ccc(C(=O)CNCCN[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1OC	ZINC000575420521	484541087	/nfs/dbraw/zinc/54/10/87/484541087.db2.gz	BLXYDMRFGBRSAT-OCCSQVGLSA-N	0	0	372.443	-0.776	40	0		FBABRN
COc1ccc(C(=O)CNCCN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1OC	ZINC000575420522	484541010	/nfs/dbraw/zinc/54/10/10/484541010.db2.gz	BLXYDMRFGBRSAT-TZMCWYRMSA-N	0	0	372.443	-0.776	40	0		FBABRN
COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575420625	484541102	/nfs/dbraw/zinc/54/11/02/484541102.db2.gz	DNTGXAVUVDKOBJ-NXEZZACHSA-N	0	0	351.402	-0.860	40	0		FBABRN
COc1ccc(OC)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575420629	484540673	/nfs/dbraw/zinc/54/06/73/484540673.db2.gz	DNTGXAVUVDKOBJ-UWVGGRQHSA-N	0	0	351.402	-0.860	40	0		FBABRN
COc1ccc(OC)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575420634	484540560	/nfs/dbraw/zinc/54/05/60/484540560.db2.gz	DNTGXAVUVDKOBJ-VHSXEESVSA-N	0	0	351.402	-0.860	40	0		FBABRN
COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575420635	484541116	/nfs/dbraw/zinc/54/11/16/484541116.db2.gz	DNTGXAVUVDKOBJ-ZJUUUORDSA-N	0	0	351.402	-0.860	40	0		FBABRN
COc1ccc(OC)c(S(=O)(=O)N(C)[C@@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575420827	484539271	/nfs/dbraw/zinc/53/92/71/484539271.db2.gz	FKKIEPQHNOBJNS-GHMZBOCLSA-N	0	0	365.429	-0.518	40	0		FBABRN
COc1ccc(OC)c(S(=O)(=O)N(C)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575420829	484539665	/nfs/dbraw/zinc/53/96/65/484539665.db2.gz	FKKIEPQHNOBJNS-MNOVXSKESA-N	0	0	365.429	-0.518	40	0		FBABRN
COc1ccc(OC)c(S(=O)(=O)N(C)[C@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575420830	484539403	/nfs/dbraw/zinc/53/94/03/484539403.db2.gz	FKKIEPQHNOBJNS-QWRGUYRKSA-N	0	0	365.429	-0.518	40	0		FBABRN
COc1ccc(OC)c(S(=O)(=O)N(C)[C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575420831	484539018	/nfs/dbraw/zinc/53/90/18/484539018.db2.gz	FKKIEPQHNOBJNS-WDEREUQCSA-N	0	0	365.429	-0.518	40	0		FBABRN
O=S(=O)(c1ccc(F)cc1)N(C[C@H](O)CO)[C@@H]1CCS(=O)(=O)C1	ZINC000575421271	484540784	/nfs/dbraw/zinc/54/07/84/484540784.db2.gz	HQLZPFVZZKPRNX-NEPJUHHUSA-N	0	0	367.420	-0.643	40	0		FBABRN
O=S(=O)(c1ccc(F)cc1)N(C[C@@H](O)CO)[C@H]1CCS(=O)(=O)C1	ZINC000575421275	484540894	/nfs/dbraw/zinc/54/08/94/484540894.db2.gz	HQLZPFVZZKPRNX-NWDGAFQWSA-N	0	0	367.420	-0.643	40	0		FBABRN
O=S(=O)(c1ccc(F)cc1)N(C[C@H](O)CO)[C@H]1CCS(=O)(=O)C1	ZINC000575421276	484540400	/nfs/dbraw/zinc/54/04/00/484540400.db2.gz	HQLZPFVZZKPRNX-RYUDHWBXSA-N	0	0	367.420	-0.643	40	0		FBABRN
O=S(=O)(c1ccc(F)cc1)N(C[C@@H](O)CO)[C@@H]1CCS(=O)(=O)C1	ZINC000575421277	484541041	/nfs/dbraw/zinc/54/10/41/484541041.db2.gz	HQLZPFVZZKPRNX-VXGBXAGGSA-N	0	0	367.420	-0.643	40	0		FBABRN
O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@H]3N(Cc3cccc(F)c3)[C@@H]2C1	ZINC000575421617	484540991	/nfs/dbraw/zinc/54/09/91/484540991.db2.gz	JGKODTIDSWHNEO-LXTVHRRPSA-N	0	0	374.459	-0.438	40	0		FBABRN
O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@H]3N(Cc3cccc(F)c3)[C@H]2C1	ZINC000575421620	484540230	/nfs/dbraw/zinc/54/02/30/484540230.db2.gz	JGKODTIDSWHNEO-NMWPEEMBSA-N	0	0	374.459	-0.438	40	0		FBABRN
O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@@H]3N(Cc3cccc(F)c3)[C@@H]2C1	ZINC000575421622	484540748	/nfs/dbraw/zinc/54/07/48/484540748.db2.gz	JGKODTIDSWHNEO-PYHGIMPFSA-N	0	0	374.459	-0.438	40	0		FBABRN
O=S1(=O)C[C@@H]2N[C@@H]3CS(=O)(=O)C[C@@H]3N(Cc3cccc(F)c3)[C@H]2C1	ZINC000575421624	484540575	/nfs/dbraw/zinc/54/05/75/484540575.db2.gz	JGKODTIDSWHNEO-XGUBFFRZSA-N	0	0	374.459	-0.438	40	0		FBABRN
CCc1ccc(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575421892	484540618	/nfs/dbraw/zinc/54/06/18/484540618.db2.gz	SRWVAURQGABVEP-KBPBESRZSA-N	0	0	363.457	-0.610	40	0		FBABRN
CCc1ccc(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575421901	484540733	/nfs/dbraw/zinc/54/07/33/484540733.db2.gz	SRWVAURQGABVEP-KGLIPLIRSA-N	0	0	363.457	-0.610	40	0		FBABRN
CCc1ccc(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575421902	484540327	/nfs/dbraw/zinc/54/03/27/484540327.db2.gz	SRWVAURQGABVEP-UONOGXRCSA-N	0	0	363.457	-0.610	40	0		FBABRN
CCc1ccc(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575421903	484540664	/nfs/dbraw/zinc/54/06/64/484540664.db2.gz	SRWVAURQGABVEP-ZIAGYGMSSA-N	0	0	363.457	-0.610	40	0		FBABRN
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccccc1	ZINC000575421932	484540427	/nfs/dbraw/zinc/54/04/27/484540427.db2.gz	JJQKHIXEXQRKJR-NEPJUHHUSA-N	0	0	362.429	-0.123	40	0		FBABRN
CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccccc1	ZINC000575421933	484540550	/nfs/dbraw/zinc/54/05/50/484540550.db2.gz	JJQKHIXEXQRKJR-NWDGAFQWSA-N	0	0	362.429	-0.123	40	0		FBABRN
CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccccc1	ZINC000575421934	484540900	/nfs/dbraw/zinc/54/09/00/484540900.db2.gz	JJQKHIXEXQRKJR-RYUDHWBXSA-N	0	0	362.429	-0.123	40	0		FBABRN
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccccc1	ZINC000575421935	484540757	/nfs/dbraw/zinc/54/07/57/484540757.db2.gz	JJQKHIXEXQRKJR-VXGBXAGGSA-N	0	0	362.429	-0.123	40	0		FBABRN
Cc1ccc(C)c(S(=O)(=O)NCCN[C@@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575422078	484540296	/nfs/dbraw/zinc/54/02/96/484540296.db2.gz	LZNDTLOQCKODSR-CHWSQXEVSA-N	0	0	362.473	-0.671	40	0		FBABRN
Cc1ccc(C)c(S(=O)(=O)NCCN[C@@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575422082	484540876	/nfs/dbraw/zinc/54/08/76/484540876.db2.gz	LZNDTLOQCKODSR-OLZOCXBDSA-N	0	0	362.473	-0.671	40	0		FBABRN
Cc1ccc(C)c(S(=O)(=O)NCCN[C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575422083	484541108	/nfs/dbraw/zinc/54/11/08/484541108.db2.gz	LZNDTLOQCKODSR-QWHCGFSZSA-N	0	0	362.473	-0.671	40	0		FBABRN
Cc1ccc(C)c(S(=O)(=O)NCCN[C@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575422084	484540726	/nfs/dbraw/zinc/54/07/26/484540726.db2.gz	LZNDTLOQCKODSR-STQMWFEESA-N	0	0	362.473	-0.671	40	0		FBABRN
Cc1ccc(S(=O)(=O)NCCN[C@@H]2CS(=O)(=O)C[C@H]2O)c(C)c1	ZINC000575422201	484540738	/nfs/dbraw/zinc/54/07/38/484540738.db2.gz	AJSGZRBDFFIOMX-CHWSQXEVSA-N	0	0	362.473	-0.671	40	0		FBABRN
Cc1ccc(S(=O)(=O)NCCN[C@@H]2CS(=O)(=O)C[C@@H]2O)c(C)c1	ZINC000575422202	484540769	/nfs/dbraw/zinc/54/07/69/484540769.db2.gz	AJSGZRBDFFIOMX-OLZOCXBDSA-N	0	0	362.473	-0.671	40	0		FBABRN
Cc1ccc(S(=O)(=O)NCCN[C@H]2CS(=O)(=O)C[C@H]2O)c(C)c1	ZINC000575422203	484540815	/nfs/dbraw/zinc/54/08/15/484540815.db2.gz	AJSGZRBDFFIOMX-QWHCGFSZSA-N	0	0	362.473	-0.671	40	0		FBABRN
Cc1ccc(S(=O)(=O)NCCN[C@H]2CS(=O)(=O)C[C@@H]2O)c(C)c1	ZINC000575422204	484541059	/nfs/dbraw/zinc/54/10/59/484541059.db2.gz	AJSGZRBDFFIOMX-STQMWFEESA-N	0	0	362.473	-0.671	40	0		FBABRN
Cc1ccc(C)c(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575422763	484540934	/nfs/dbraw/zinc/54/09/34/484540934.db2.gz	OFXLOSJDBBLHTF-CHWSQXEVSA-N	0	0	363.457	-0.556	40	0		FBABRN
Cc1ccc(C)c(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575422768	484540607	/nfs/dbraw/zinc/54/06/07/484540607.db2.gz	OFXLOSJDBBLHTF-OLZOCXBDSA-N	0	0	363.457	-0.556	40	0		FBABRN
Cc1ccc(C)c(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575422769	484540939	/nfs/dbraw/zinc/54/09/39/484540939.db2.gz	OFXLOSJDBBLHTF-QWHCGFSZSA-N	0	0	363.457	-0.556	40	0		FBABRN
Cc1ccc(C)c(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575422771	484540969	/nfs/dbraw/zinc/54/09/69/484540969.db2.gz	OFXLOSJDBBLHTF-STQMWFEESA-N	0	0	363.457	-0.556	40	0		FBABRN
CN(C)N([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Cl)cc1	ZINC000575423523	484542446	/nfs/dbraw/zinc/54/24/46/484542446.db2.gz	FZZMBAUQTJHSGJ-NEPJUHHUSA-N	0	0	368.864	-0.035	40	0		FBABRN
CN(C)N([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Cl)cc1	ZINC000575423524	484541879	/nfs/dbraw/zinc/54/18/79/484541879.db2.gz	FZZMBAUQTJHSGJ-NWDGAFQWSA-N	0	0	368.864	-0.035	40	0		FBABRN
CN(C)N([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(Cl)cc1	ZINC000575423525	484541869	/nfs/dbraw/zinc/54/18/69/484541869.db2.gz	FZZMBAUQTJHSGJ-RYUDHWBXSA-N	0	0	368.864	-0.035	40	0		FBABRN
CN(C)N([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(Cl)cc1	ZINC000575423526	484541665	/nfs/dbraw/zinc/54/16/65/484541665.db2.gz	FZZMBAUQTJHSGJ-VXGBXAGGSA-N	0	0	368.864	-0.035	40	0		FBABRN
Cc1ccc(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1C	ZINC000575423887	484542054	/nfs/dbraw/zinc/54/20/54/484542054.db2.gz	SGWGQCRJBAJGHF-KBPBESRZSA-N	0	0	363.457	-0.556	40	0		FBABRN
Cc1ccc(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1C	ZINC000575423888	484542064	/nfs/dbraw/zinc/54/20/64/484542064.db2.gz	SGWGQCRJBAJGHF-KGLIPLIRSA-N	0	0	363.457	-0.556	40	0		FBABRN
Cc1ccc(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@H]2O)cc1C	ZINC000575423889	484542616	/nfs/dbraw/zinc/54/26/16/484542616.db2.gz	SGWGQCRJBAJGHF-UONOGXRCSA-N	0	0	363.457	-0.556	40	0		FBABRN
Cc1ccc(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1C	ZINC000575423890	484542674	/nfs/dbraw/zinc/54/26/74/484542674.db2.gz	SGWGQCRJBAJGHF-ZIAGYGMSSA-N	0	0	363.457	-0.556	40	0		FBABRN
Cc1ccc(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1C	ZINC000575424292	484542430	/nfs/dbraw/zinc/54/24/30/484542430.db2.gz	UOUNHUGGXNPWDY-KBPBESRZSA-N	0	0	362.473	-0.071	40	0		FBABRN
Cc1ccc(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1C	ZINC000575424293	484541937	/nfs/dbraw/zinc/54/19/37/484541937.db2.gz	UOUNHUGGXNPWDY-KGLIPLIRSA-N	0	0	362.473	-0.071	40	0		FBABRN
Cc1ccc(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1C	ZINC000575424294	484542423	/nfs/dbraw/zinc/54/24/23/484542423.db2.gz	UOUNHUGGXNPWDY-UONOGXRCSA-N	0	0	362.473	-0.071	40	0		FBABRN
Cc1ccc(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1C	ZINC000575424295	484541852	/nfs/dbraw/zinc/54/18/52/484541852.db2.gz	UOUNHUGGXNPWDY-ZIAGYGMSSA-N	0	0	362.473	-0.071	40	0		FBABRN
O=S(=O)(c1ccc(Cl)cc1)N(CCO)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575424472	484541967	/nfs/dbraw/zinc/54/19/67/484541967.db2.gz	LOYVOXXYGNKWJV-NEPJUHHUSA-N	0	0	369.848	-0.519	40	0		FBABRN
O=S(=O)(c1ccc(Cl)cc1)N(CCO)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575424473	484542264	/nfs/dbraw/zinc/54/22/64/484542264.db2.gz	LOYVOXXYGNKWJV-NWDGAFQWSA-N	0	0	369.848	-0.519	40	0		FBABRN
O=S(=O)(c1ccc(Cl)cc1)N(CCO)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575424474	484542004	/nfs/dbraw/zinc/54/20/04/484542004.db2.gz	LOYVOXXYGNKWJV-RYUDHWBXSA-N	0	0	369.848	-0.519	40	0		FBABRN
O=S(=O)(c1ccc(Cl)cc1)N(CCO)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575424475	484542572	/nfs/dbraw/zinc/54/25/72/484542572.db2.gz	LOYVOXXYGNKWJV-VXGBXAGGSA-N	0	0	369.848	-0.519	40	0		FBABRN
CN(C)N([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(F)cc1	ZINC000575425271	484544012	/nfs/dbraw/zinc/54/40/12/484544012.db2.gz	XQYJJURGHDKGDI-NEPJUHHUSA-N	0	0	352.409	-0.549	40	0		FBABRN
CN(C)N([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(F)cc1	ZINC000575425273	484543218	/nfs/dbraw/zinc/54/32/18/484543218.db2.gz	XQYJJURGHDKGDI-NWDGAFQWSA-N	0	0	352.409	-0.549	40	0		FBABRN
CN(C)N([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccc(F)cc1	ZINC000575425276	484544128	/nfs/dbraw/zinc/54/41/28/484544128.db2.gz	XQYJJURGHDKGDI-RYUDHWBXSA-N	0	0	352.409	-0.549	40	0		FBABRN
CN(C)N([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccc(F)cc1	ZINC000575425278	484543328	/nfs/dbraw/zinc/54/33/28/484543328.db2.gz	XQYJJURGHDKGDI-VXGBXAGGSA-N	0	0	352.409	-0.549	40	0		FBABRN
COc1ccc(C(=O)CN([C@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1OC	ZINC000575425308	484544225	/nfs/dbraw/zinc/54/42/25/484544225.db2.gz	XXEHJRLFYMXYTH-GXTWGEPZSA-N	0	0	372.443	-0.177	40	0		FBABRN
COc1ccc(C(=O)CN([C@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1OC	ZINC000575425309	484543440	/nfs/dbraw/zinc/54/34/40/484543440.db2.gz	XXEHJRLFYMXYTH-JSGCOSHPSA-N	0	0	372.443	-0.177	40	0		FBABRN
COc1ccc(C(=O)CN([C@@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1OC	ZINC000575425310	484543699	/nfs/dbraw/zinc/54/36/99/484543699.db2.gz	XXEHJRLFYMXYTH-OCCSQVGLSA-N	0	0	372.443	-0.177	40	0		FBABRN
COc1ccc(C(=O)CN([C@@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1OC	ZINC000575425311	484543367	/nfs/dbraw/zinc/54/33/67/484543367.db2.gz	XXEHJRLFYMXYTH-TZMCWYRMSA-N	0	0	372.443	-0.177	40	0		FBABRN
COc1ccc(S(=O)(=O)N(C)[C@@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1	ZINC000575425387	484543999	/nfs/dbraw/zinc/54/39/99/484543999.db2.gz	DQGMUSIPJXPVJN-GHMZBOCLSA-N	0	0	365.429	-0.518	40	0		FBABRN
COc1ccc(S(=O)(=O)N(C)[C@@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1	ZINC000575425389	484543643	/nfs/dbraw/zinc/54/36/43/484543643.db2.gz	DQGMUSIPJXPVJN-MNOVXSKESA-N	0	0	365.429	-0.518	40	0		FBABRN
COc1ccc(S(=O)(=O)N(C)[C@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1	ZINC000575425391	484543355	/nfs/dbraw/zinc/54/33/55/484543355.db2.gz	DQGMUSIPJXPVJN-QWRGUYRKSA-N	0	0	365.429	-0.518	40	0		FBABRN
COc1ccc(S(=O)(=O)N(C)[C@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1	ZINC000575425393	484543236	/nfs/dbraw/zinc/54/32/36/484543236.db2.gz	DQGMUSIPJXPVJN-WDEREUQCSA-N	0	0	365.429	-0.518	40	0		FBABRN
COc1ccc(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1	ZINC000575425459	484544051	/nfs/dbraw/zinc/54/40/51/484544051.db2.gz	FGLJYHFTIXLEES-CHWSQXEVSA-N	0	0	364.445	-0.680	40	0		FBABRN
COc1ccc(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1	ZINC000575425466	484543430	/nfs/dbraw/zinc/54/34/30/484543430.db2.gz	FGLJYHFTIXLEES-OLZOCXBDSA-N	0	0	364.445	-0.680	40	0		FBABRN
COc1ccc(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@H]2O)N(C)C)cc1	ZINC000575425467	484543974	/nfs/dbraw/zinc/54/39/74/484543974.db2.gz	FGLJYHFTIXLEES-QWHCGFSZSA-N	0	0	364.445	-0.680	40	0		FBABRN
COc1ccc(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)cc1	ZINC000575425468	484543652	/nfs/dbraw/zinc/54/36/52/484543652.db2.gz	FGLJYHFTIXLEES-STQMWFEESA-N	0	0	364.445	-0.680	40	0		FBABRN
O=S(=O)(NCCN[C@@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(Cl)cc1	ZINC000575425587	484543285	/nfs/dbraw/zinc/54/32/85/484543285.db2.gz	SXBJFLFERAASRQ-NEPJUHHUSA-N	0	0	368.864	-0.634	40	0		FBABRN
O=S(=O)(NCCN[C@H]1CS(=O)(=O)C[C@H]1O)c1ccc(Cl)cc1	ZINC000575425588	484543764	/nfs/dbraw/zinc/54/37/64/484543764.db2.gz	SXBJFLFERAASRQ-NWDGAFQWSA-N	0	0	368.864	-0.634	40	0		FBABRN
O=S(=O)(NCCN[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccc(Cl)cc1	ZINC000575425589	484543343	/nfs/dbraw/zinc/54/33/43/484543343.db2.gz	SXBJFLFERAASRQ-RYUDHWBXSA-N	0	0	368.864	-0.634	40	0		FBABRN
O=S(=O)(NCCN[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc(Cl)cc1	ZINC000575425590	484544325	/nfs/dbraw/zinc/54/43/25/484544325.db2.gz	SXBJFLFERAASRQ-VXGBXAGGSA-N	0	0	368.864	-0.634	40	0		FBABRN
Cc1ccc(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@H]2O)c(C)c1	ZINC000575425652	484543276	/nfs/dbraw/zinc/54/32/76/484543276.db2.gz	VXPQRVPIYGRZHR-CHWSQXEVSA-N	0	0	363.457	-0.556	40	0		FBABRN
Cc1ccc(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)c(C)c1	ZINC000575425653	484543336	/nfs/dbraw/zinc/54/33/36/484543336.db2.gz	VXPQRVPIYGRZHR-OLZOCXBDSA-N	0	0	363.457	-0.556	40	0		FBABRN
Cc1ccc(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@H]2O)c(C)c1	ZINC000575425654	484543833	/nfs/dbraw/zinc/54/38/33/484543833.db2.gz	VXPQRVPIYGRZHR-QWHCGFSZSA-N	0	0	363.457	-0.556	40	0		FBABRN
Cc1ccc(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)c(C)c1	ZINC000575425655	484543228	/nfs/dbraw/zinc/54/32/28/484543228.db2.gz	VXPQRVPIYGRZHR-STQMWFEESA-N	0	0	363.457	-0.556	40	0		FBABRN
Cc1ccc(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@H]2O)N(C)C)c(C)c1	ZINC000575425846	484543568	/nfs/dbraw/zinc/54/35/68/484543568.db2.gz	XZLXQMGUYRJTMF-CHWSQXEVSA-N	0	0	362.473	-0.071	40	0		FBABRN
Cc1ccc(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)c(C)c1	ZINC000575425847	484543204	/nfs/dbraw/zinc/54/32/04/484543204.db2.gz	XZLXQMGUYRJTMF-OLZOCXBDSA-N	0	0	362.473	-0.071	40	0		FBABRN
Cc1ccc(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@H]2O)N(C)C)c(C)c1	ZINC000575425848	484543537	/nfs/dbraw/zinc/54/35/37/484543537.db2.gz	XZLXQMGUYRJTMF-QWHCGFSZSA-N	0	0	362.473	-0.071	40	0		FBABRN
Cc1ccc(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)c(C)c1	ZINC000575425849	484543544	/nfs/dbraw/zinc/54/35/44/484543544.db2.gz	XZLXQMGUYRJTMF-STQMWFEESA-N	0	0	362.473	-0.071	40	0		FBABRN
COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1	ZINC000575425893	484543590	/nfs/dbraw/zinc/54/35/90/484543590.db2.gz	IPBKVMJPIOQNBN-NXEZZACHSA-N	0	0	351.402	-0.860	40	0		FBABRN
COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1	ZINC000575425894	484543706	/nfs/dbraw/zinc/54/37/06/484543706.db2.gz	IPBKVMJPIOQNBN-UWVGGRQHSA-N	0	0	351.402	-0.860	40	0		FBABRN
COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1	ZINC000575425895	484543712	/nfs/dbraw/zinc/54/37/12/484543712.db2.gz	IPBKVMJPIOQNBN-VHSXEESVSA-N	0	0	351.402	-0.860	40	0		FBABRN
COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1	ZINC000575425896	484543504	/nfs/dbraw/zinc/54/35/04/484543504.db2.gz	IPBKVMJPIOQNBN-ZJUUUORDSA-N	0	0	351.402	-0.860	40	0		FBABRN
Cc1ccc(C)c(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@H]2O)N(C)C)c1	ZINC000575426090	484544946	/nfs/dbraw/zinc/54/49/46/484544946.db2.gz	MJYBOIUPFXGSIJ-CHWSQXEVSA-N	0	0	362.473	-0.071	40	0		FBABRN
Cc1ccc(C)c(S(=O)(=O)N([C@@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)c1	ZINC000575426091	484545738	/nfs/dbraw/zinc/54/57/38/484545738.db2.gz	MJYBOIUPFXGSIJ-OLZOCXBDSA-N	0	0	362.473	-0.071	40	0		FBABRN
Cc1ccc(C)c(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@H]2O)N(C)C)c1	ZINC000575426092	484545924	/nfs/dbraw/zinc/54/59/24/484545924.db2.gz	MJYBOIUPFXGSIJ-QWHCGFSZSA-N	0	0	362.473	-0.071	40	0		FBABRN
Cc1ccc(C)c(S(=O)(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)N(C)C)c1	ZINC000575426093	484545635	/nfs/dbraw/zinc/54/56/35/484545635.db2.gz	MJYBOIUPFXGSIJ-STQMWFEESA-N	0	0	362.473	-0.071	40	0		FBABRN
CN(C)C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ncn(C)n3)CC2)O1	ZINC000585091854	483755090	/nfs/dbraw/zinc/75/50/90/483755090.db2.gz	XVYREJYCANPBPN-GFCCVEGCSA-N	0	0	373.417	-0.370	40	0		FBABRN
CN(C)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ncn(C)n3)CC2)O1	ZINC000585091855	483755080	/nfs/dbraw/zinc/75/50/80/483755080.db2.gz	XVYREJYCANPBPN-LBPRGKRZSA-N	0	0	373.417	-0.370	40	0		FBABRN
Cc1cc(CN2Cc3ncn(C)c3C[C@@H]2CNS(C)(=O)=O)n(C)n1	ZINC000585094689	483755289	/nfs/dbraw/zinc/75/52/89/483755289.db2.gz	HSEXXDYBDSPFPU-GFCCVEGCSA-N	0	0	352.464	-0.062	40	0		FBABRN
Cc1cc(CN2Cc3ncn(C)c3C[C@H]2CNS(C)(=O)=O)n(C)n1	ZINC000585094690	483755124	/nfs/dbraw/zinc/75/51/24/483755124.db2.gz	HSEXXDYBDSPFPU-LBPRGKRZSA-N	0	0	352.464	-0.062	40	0		FBABRN
CS(=O)(=O)NC[C@H]1CCn2nccc2CN1CC(=O)N1CCCC1	ZINC000585096760	483755011	/nfs/dbraw/zinc/75/50/11/483755011.db2.gz	CINODSGLRIWRFX-CYBMUJFWSA-N	0	0	355.464	-0.371	40	0		FBABRN
CS(=O)(=O)NC[C@@H]1CCn2nccc2CN1CC(=O)N1CCCC1	ZINC000585096761	483755249	/nfs/dbraw/zinc/75/52/49/483755249.db2.gz	CINODSGLRIWRFX-ZDUSSCGKSA-N	0	0	355.464	-0.371	40	0		FBABRN
O=C(NCCN1CCNC1=O)C1=NO[C@]2(C1)CCCN(c1ncccn1)C2	ZINC000585101192	483755743	/nfs/dbraw/zinc/75/57/43/483755743.db2.gz	MOCOQNDNHRNKBD-KRWDZBQOSA-N	0	0	373.417	-0.267	40	0		FBABRN
O=C(NCCN1CCNC1=O)C1=NO[C@@]2(C1)CCCN(c1ncccn1)C2	ZINC000585101193	483755642	/nfs/dbraw/zinc/75/56/42/483755642.db2.gz	MOCOQNDNHRNKBD-QGZVFWFLSA-N	0	0	373.417	-0.267	40	0		FBABRN
CN(C)C(=O)CN1CCN(C)C2(CCN(C(=O)C3(F)CC3)CC2)C1=O	ZINC000585101616	483755559	/nfs/dbraw/zinc/75/55/59/483755559.db2.gz	PHWWDPLFDCVCRK-UHFFFAOYSA-N	0	0	354.426	-0.288	40	0		FBABRN
O=C(NC1CS(=O)(=O)C1)[C@H]1CN(c2ncccn2)CC12CCOCC2	ZINC000585101934	483755668	/nfs/dbraw/zinc/75/56/68/483755668.db2.gz	KGKJEVHOXOYECT-CYBMUJFWSA-N	0	0	366.443	-0.377	40	0		FBABRN
O=C(NC1CS(=O)(=O)C1)[C@@H]1CN(c2ncccn2)CC12CCOCC2	ZINC000585101938	483755466	/nfs/dbraw/zinc/75/54/66/483755466.db2.gz	KGKJEVHOXOYECT-ZDUSSCGKSA-N	0	0	366.443	-0.377	40	0		FBABRN
O=S(=O)(C1CC1)N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O	ZINC000585102977	483755821	/nfs/dbraw/zinc/75/58/21/483755821.db2.gz	KHCQVCCPJFZCOP-LLVKDONJSA-N	0	0	373.456	-0.163	40	0		FBABRN
O=S(=O)(C1CC1)N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O	ZINC000585102984	483755770	/nfs/dbraw/zinc/75/57/70/483755770.db2.gz	KHCQVCCPJFZCOP-NSHDSACASA-N	0	0	373.456	-0.163	40	0		FBABRN
COC[C@H]1CCC2(CCN(C(=O)c3ncn(C)n3)CC2)N1S(C)(=O)=O	ZINC000585103238	483755605	/nfs/dbraw/zinc/75/56/05/483755605.db2.gz	AKIHXVYJKHRONP-GFCCVEGCSA-N	0	0	371.463	-0.140	40	0		FBABRN
COC[C@@H]1CCC2(CCN(C(=O)c3ncn(C)n3)CC2)N1S(C)(=O)=O	ZINC000585103246	483755710	/nfs/dbraw/zinc/75/57/10/483755710.db2.gz	AKIHXVYJKHRONP-LBPRGKRZSA-N	0	0	371.463	-0.140	40	0		FBABRN
COCC(=O)N[C@@H]1COCCC12CCN(C(=O)c1ncn(C)n1)CC2	ZINC000585103968	483755570	/nfs/dbraw/zinc/75/55/70/483755570.db2.gz	XJGZQMMGQQDYSC-GFCCVEGCSA-N	0	0	351.407	-0.411	40	0		FBABRN
COCC(=O)N[C@H]1COCCC12CCN(C(=O)c1ncn(C)n1)CC2	ZINC000585103973	483755522	/nfs/dbraw/zinc/75/55/22/483755522.db2.gz	XJGZQMMGQQDYSC-LBPRGKRZSA-N	0	0	351.407	-0.411	40	0		FBABRN
Cn1cnc(C(=O)N2CC[C@]3(C2)C(=O)NC[C@@H]3COc2ccccn2)n1	ZINC000585104014	483755442	/nfs/dbraw/zinc/75/54/42/483755442.db2.gz	FQGOIKAWSWSSED-SJKOYZFVSA-N	0	0	356.386	-0.133	40	0		FBABRN
COC[C@H]1CC2(CN1S(C)(=O)=O)CCN(C(=O)c1ncn(C)n1)CC2	ZINC000585104019	483755753	/nfs/dbraw/zinc/75/57/53/483755753.db2.gz	ZJCXOKPNVPWXST-GFCCVEGCSA-N	0	0	371.463	-0.282	40	0		FBABRN
COC[C@@H]1CC2(CN1S(C)(=O)=O)CCN(C(=O)c1ncn(C)n1)CC2	ZINC000585104033	483755803	/nfs/dbraw/zinc/75/58/03/483755803.db2.gz	ZJCXOKPNVPWXST-LBPRGKRZSA-N	0	0	371.463	-0.282	40	0		FBABRN
CN(C)C(=O)COC[C@@H]1C[C@@H]2OCCN(C(=O)c3ncn(C)n3)[C@H]2C1	ZINC000585108278	483756050	/nfs/dbraw/zinc/75/60/50/483756050.db2.gz	NMSDEIJCKHSLBI-AVGNSLFASA-N	0	0	351.407	-0.461	40	0		FBABRN
CN(C)C(=O)COC[C@@H]1C[C@H]2OCCN(C(=O)c3ncn(C)n3)[C@H]2C1	ZINC000585108279	483756228	/nfs/dbraw/zinc/75/62/28/483756228.db2.gz	NMSDEIJCKHSLBI-RWMBFGLXSA-N	0	0	351.407	-0.461	40	0		FBABRN
CN(C)C(=O)COC[C@H]1C[C@@H]2[C@H](C1)OCCN2C(=O)c1ncn(C)n1	ZINC000585108280	483756012	/nfs/dbraw/zinc/75/60/12/483756012.db2.gz	NMSDEIJCKHSLBI-XQQFMLRXSA-N	0	0	351.407	-0.461	40	0		FBABRN
CN(C)C(=O)COC[C@@H]1C[C@H]2OCCN(C(=O)c3ncn(C)n3)[C@@H]2C1	ZINC000585108281	483756231	/nfs/dbraw/zinc/75/62/31/483756231.db2.gz	NMSDEIJCKHSLBI-YNEHKIRRSA-N	0	0	351.407	-0.461	40	0		FBABRN
Cc1cnc(CNC(=O)[C@H]2C[C@@H]3[C@@H](CCN3C(=O)c3ncn(C)n3)O2)cn1	ZINC000585108432	483756068	/nfs/dbraw/zinc/75/60/68/483756068.db2.gz	KQRJDUBBNHGAJU-MGPQQGTHSA-N	0	0	371.401	-0.398	40	0		FBABRN
Cc1cnc(CNC(=O)[C@H]2C[C@@H]3[C@@H](CCN3C(=O)C3CC(O)C3)O2)cn1	ZINC000585108463	483756276	/nfs/dbraw/zinc/75/62/76/483756276.db2.gz	MRXBTJRGKAQAIB-MKKQRFEJSA-N	0	0	360.414	-0.069	40	0		FBABRN
Cn1cnc(C(=O)N2C[C@H]3C[C@H](CNC(=O)c4cccn4C)O[C@H]3C2)n1	ZINC000585108486	483756213	/nfs/dbraw/zinc/75/62/13/483756213.db2.gz	OXHCHUUOFOMSFX-BZPMIXESSA-N	0	0	358.402	-0.187	40	0		FBABRN
Cc1cc(CN2C[C@@H](C(=O)NC3CS(=O)(=O)C3)C[C@H]3OCC[C@H]32)[nH]n1	ZINC000585108710	483756199	/nfs/dbraw/zinc/75/61/99/483756199.db2.gz	GHQRBVZKZGHCBN-NILFDRSVSA-N	0	0	368.459	-0.389	40	0		FBABRN
Cn1cnc(C(=O)N2CC[C@@H]3C[C@@H](C(=O)Nc4cnccn4)O[C@H]3C2)n1	ZINC000585108959	483756265	/nfs/dbraw/zinc/75/62/65/483756265.db2.gz	HZLHNOCABTVBEA-WOPDTQHZSA-N	0	0	357.374	-0.137	40	0		FBABRN
COCCNC(=O)C[C@@H]1C[C@H]2CN(C(=O)Cc3ccn(C)n3)C[C@H]2O1	ZINC000585109165	483756235	/nfs/dbraw/zinc/75/62/35/483756235.db2.gz	BQBWFCHKFFLEBB-AEGPPILISA-N	0	0	350.419	-0.269	40	0		FBABRN
Cc1noc(CC(=O)N2C[C@@H]3C[C@@H](CC(=O)N4CCOCC4)O[C@@H]3C2)n1	ZINC000585109509	483756097	/nfs/dbraw/zinc/75/60/97/483756097.db2.gz	VHXQSIPYPSXNPM-MELADBBJSA-N	0	0	364.402	-0.215	40	0		FBABRN
O=C(NC1CC1)c1nnc2n1CCN1CCN(C(=O)[C@@H]3[C@@H]4COC[C@@H]43)C[C@@H]21	ZINC000585109838	483756151	/nfs/dbraw/zinc/75/61/51/483756151.db2.gz	AEGSQMMYOXEVNN-CRWXNKLISA-N	0	0	372.429	-0.738	40	0		FBABRN
O=C(NC1CC1)c1nnc2n1CCN1CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@@H]21	ZINC000585109839	483756045	/nfs/dbraw/zinc/75/60/45/483756045.db2.gz	AEGSQMMYOXEVNN-RFQIPJPRSA-N	0	0	372.429	-0.738	40	0		FBABRN
O=C(NC1CC1)c1nnc2n1CCN1CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]21	ZINC000585109840	483756042	/nfs/dbraw/zinc/75/60/42/483756042.db2.gz	AEGSQMMYOXEVNN-RQJABVFESA-N	0	0	372.429	-0.738	40	0		FBABRN
O=C(NC1CC1)c1nnc2n1CCN1CCN(C(=O)[C@@H]3[C@@H]4COC[C@@H]43)C[C@H]21	ZINC000585109841	483756065	/nfs/dbraw/zinc/75/60/65/483756065.db2.gz	AEGSQMMYOXEVNN-XJFOESAGSA-N	0	0	372.429	-0.738	40	0		FBABRN
CC(C)NC(=O)c1nnc2n1CCN1CCN(C(=O)C3CC(O)C3)C[C@@H]21	ZINC000585109842	483756319	/nfs/dbraw/zinc/75/63/19/483756319.db2.gz	AJJOEUWOXGTZGC-BPCQOVAHSA-N	0	0	362.434	-0.614	40	0		FBABRN
CC(C)NC(=O)c1nnc2n1CCN1CCN(C(=O)C3CC(O)C3)C[C@H]21	ZINC000585109844	483756311	/nfs/dbraw/zinc/75/63/11/483756311.db2.gz	AJJOEUWOXGTZGC-WXRRBKDZSA-N	0	0	362.434	-0.614	40	0		FBABRN
CC(C)NC(=O)c1nnc2n1CCN1CCN(C(=O)c3ncn(C)n3)C[C@H]21	ZINC000585109868	483756205	/nfs/dbraw/zinc/75/62/05/483756205.db2.gz	CNVGZFMBCIWUPA-LLVKDONJSA-N	0	0	373.421	-0.943	40	0		FBABRN
CC(C)NC(=O)c1nnc2n1CCN1CCN(C(=O)c3ncn(C)n3)C[C@@H]21	ZINC000585109869	483756028	/nfs/dbraw/zinc/75/60/28/483756028.db2.gz	CNVGZFMBCIWUPA-NSHDSACASA-N	0	0	373.421	-0.943	40	0		FBABRN
O=C(NC1CC1)c1nnc2n1CCN1CCN(C(=O)c3cc[nH]n3)C[C@H]21	ZINC000585109876	483756239	/nfs/dbraw/zinc/75/62/39/483756239.db2.gz	DXNQZKVAILRESG-GFCCVEGCSA-N	0	0	356.390	-0.594	40	0		FBABRN
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Cc1cccc(C[C@@]2(CO)CN(C(=O)CNS(C)(=O)=O)CCO2)c1	ZINC000585275966	483829956	/nfs/dbraw/zinc/82/99/56/483829956.db2.gz	BWVGRKDFUOQCOM-INIZCTEOSA-N	0	0	356.444	-0.323	40	0		FBABRN
Cc1cccc(C[C@]2(CO)CN(C(=O)CNS(C)(=O)=O)CCO2)c1	ZINC000585275967	483829863	/nfs/dbraw/zinc/82/98/63/483829863.db2.gz	BWVGRKDFUOQCOM-MRXNPFEDSA-N	0	0	356.444	-0.323	40	0		FBABRN
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Cc1ccc(C[C@]2(CO)CN(C(=O)CNS(C)(=O)=O)CCO2)cc1	ZINC000585277198	483829835	/nfs/dbraw/zinc/82/98/35/483829835.db2.gz	KXWCBNKXEKLCTP-MRXNPFEDSA-N	0	0	356.444	-0.323	40	0		FBABRN
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Cc1ccccc1C[C@]1(CO)CN(C(=O)CNS(C)(=O)=O)CCO1	ZINC000585278128	483829754	/nfs/dbraw/zinc/82/97/54/483829754.db2.gz	QSTVBPQZEGXHMK-MRXNPFEDSA-N	0	0	356.444	-0.323	40	0		FBABRN
CNC(=O)C[C@@]1(COC)CN(C(=O)c2nn(C)c3c2CCC3)CCO1	ZINC000585278562	483830202	/nfs/dbraw/zinc/83/02/02/483830202.db2.gz	PDULDMLBXRESHL-KRWDZBQOSA-N	0	0	350.419	-0.098	40	0		FBABRN
CNC(=O)C[C@]1(COC)CN(C(=O)c2nn(C)c3c2CCC3)CCO1	ZINC000585278564	483830441	/nfs/dbraw/zinc/83/04/41/483830441.db2.gz	PDULDMLBXRESHL-QGZVFWFLSA-N	0	0	350.419	-0.098	40	0		FBABRN
CNC(=O)C[C@@]1(OC)COCCN(C(=O)CCn2ccccc2=O)C1	ZINC000585280309	483830258	/nfs/dbraw/zinc/83/02/58/483830258.db2.gz	FEHZNLPERLNADC-KRWDZBQOSA-N	0	0	351.403	-0.382	40	0		FBABRN
CNC(=O)C[C@]1(OC)COCCN(C(=O)CCn2ccccc2=O)C1	ZINC000585280310	483830238	/nfs/dbraw/zinc/83/02/38/483830238.db2.gz	FEHZNLPERLNADC-QGZVFWFLSA-N	0	0	351.403	-0.382	40	0		FBABRN
CNC(=O)C[C@@]1(O)COCCN(C(=O)CN(C)Cc2cccnc2)C1	ZINC000585281062	483830223	/nfs/dbraw/zinc/83/02/23/483830223.db2.gz	SEWCXYDVJWXJBR-KRWDZBQOSA-N	0	0	350.419	-0.761	40	0		FBABRN
CNC(=O)C[C@]1(O)COCCN(C(=O)CN(C)Cc2cccnc2)C1	ZINC000585281064	483830307	/nfs/dbraw/zinc/83/03/07/483830307.db2.gz	SEWCXYDVJWXJBR-QGZVFWFLSA-N	0	0	350.419	-0.761	40	0		FBABRN
CNC(=O)C[C@@]1(OC)COCCN(C(=O)CN2CCCCCC2=O)C1	ZINC000585281241	483830219	/nfs/dbraw/zinc/83/02/19/483830219.db2.gz	USWJSGSPWMMRMF-KRWDZBQOSA-N	0	0	355.435	-0.231	40	0		FBABRN
CNC(=O)C[C@]1(OC)COCCN(C(=O)CN2CCCCCC2=O)C1	ZINC000585281242	483830374	/nfs/dbraw/zinc/83/03/74/483830374.db2.gz	USWJSGSPWMMRMF-QGZVFWFLSA-N	0	0	355.435	-0.231	40	0		FBABRN
CNC(=O)C[C@@]1(OC)COCCN(C(=O)c2nn(C)c3c2CCC3)C1	ZINC000585281347	483830365	/nfs/dbraw/zinc/83/03/65/483830365.db2.gz	WNZPNFRVQPUBJC-KRWDZBQOSA-N	0	0	350.419	-0.098	40	0		FBABRN
CNC(=O)C[C@]1(OC)COCCN(C(=O)c2nn(C)c3c2CCC3)C1	ZINC000585281348	483830292	/nfs/dbraw/zinc/83/02/92/483830292.db2.gz	WNZPNFRVQPUBJC-QGZVFWFLSA-N	0	0	350.419	-0.098	40	0		FBABRN
CC(=O)N1CCOC[C@](O)(CC(=O)NCCn2nc(C)c(C)c2C)C1	ZINC000585281533	483830291	/nfs/dbraw/zinc/83/02/91/483830291.db2.gz	ZAHCGBMQGJNGSS-KRWDZBQOSA-N	0	0	352.435	-0.076	40	0		FBABRN
CC(=O)N1CCOC[C@@](O)(CC(=O)NCCn2nc(C)c(C)c2C)C1	ZINC000585281538	483830332	/nfs/dbraw/zinc/83/03/32/483830332.db2.gz	ZAHCGBMQGJNGSS-QGZVFWFLSA-N	0	0	352.435	-0.076	40	0		FBABRN
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CO[C@@H]1COC[C@@H](N(C)C(=O)CCCn2c(C)cc(C)nc2=O)[C@@H]1O	ZINC000585285463	483830825	/nfs/dbraw/zinc/83/08/25/483830825.db2.gz	DNQXAQDUIDHQJQ-FMKPAKJESA-N	0	0	353.419	-0.127	40	0		FBABRN
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CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1	ZINC000585286538	483830890	/nfs/dbraw/zinc/83/08/90/483830890.db2.gz	ZQWXGYCKAJWJER-WBTNSWJXSA-N	0	0	361.398	-0.659	40	0		FBABRN
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CC(C)Cc1cc(C(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)on1	ZINC000585287767	483830829	/nfs/dbraw/zinc/83/08/29/483830829.db2.gz	FLWZOWDSOGLXBU-FMKPAKJESA-N	0	0	353.419	-0.249	40	0		FBABRN
Cc1onc(C(C)C)c1C(=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585287836	483830850	/nfs/dbraw/zinc/83/08/50/483830850.db2.gz	FPAWXMZGRHUEBW-IOASZLSFSA-N	0	0	353.419	-0.015	40	0		FBABRN
O=C(COc1cccc(F)c1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585287840	483830767	/nfs/dbraw/zinc/83/07/67/483830767.db2.gz	FROYIUIDBTYSAO-INMHGKMJSA-N	0	0	354.378	-0.531	40	0		FBABRN
O=C(Cn1ccc(C2CC2)n1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585287924	483830741	/nfs/dbraw/zinc/83/07/41/483830741.db2.gz	ICKXQUIJCGSCDA-INMHGKMJSA-N	0	0	350.419	-0.975	40	0		FBABRN
CCCn1cc(C(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)c(C)n1	ZINC000585287947	483830846	/nfs/dbraw/zinc/83/08/46/483830846.db2.gz	JFMUPBJMBHXTCK-OAGGEKHMSA-N	0	0	352.435	-0.520	40	0		FBABRN
CCCn1ncc(C(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)c1C	ZINC000585287956	483830665	/nfs/dbraw/zinc/83/06/65/483830665.db2.gz	JVOBMOXJXGDSHX-OAGGEKHMSA-N	0	0	352.435	-0.520	40	0		FBABRN
COc1cccc(CC(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)c1	ZINC000585287966	483830683	/nfs/dbraw/zinc/83/06/83/483830683.db2.gz	KBIXTVYDELDEFV-NUJGCVRESA-N	0	0	350.415	-0.498	40	0		FBABRN
CC(C)c1ncc(C(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)cn1	ZINC000585287967	483830811	/nfs/dbraw/zinc/83/08/11/483830811.db2.gz	KDROUQIXIHICES-KFWWJZLASA-N	0	0	350.419	-0.522	40	0		FBABRN
CCCc1cc(C(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)n(C)n1	ZINC000585287982	483830724	/nfs/dbraw/zinc/83/07/24/483830724.db2.gz	KQZXAXUGSMLVON-OAGGEKHMSA-N	0	0	352.435	-0.749	40	0		FBABRN
CCc1nccn1CCC(=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585288026	483830674	/nfs/dbraw/zinc/83/06/74/483830674.db2.gz	NHMCIKAWLIRSAO-CPUCHLNUSA-N	0	0	352.435	-0.900	40	0		FBABRN
COc1ccc(F)cc1C(=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585288030	483830870	/nfs/dbraw/zinc/83/08/70/483830870.db2.gz	NJXQRTSVXMOKIG-FMKPAKJESA-N	0	0	354.378	-0.287	40	0		FBABRN
COc1c(C)cccc1C(=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585288031	483830587	/nfs/dbraw/zinc/83/05/87/483830587.db2.gz	NLPDRZMBSXSCIE-OAGGEKHMSA-N	0	0	350.415	-0.118	40	0		FBABRN
Cc1ccccc1OCC(=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585288036	483831367	/nfs/dbraw/zinc/83/13/67/483831367.db2.gz	NVAZIPQDCHTJQU-RKVPGOIHSA-N	0	0	350.415	-0.361	40	0		FBABRN
CCn1cc(Cl)c(C(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)n1	ZINC000585288084	483831228	/nfs/dbraw/zinc/83/12/28/483831228.db2.gz	PCKVBNDAMFSZHE-BZPMIXESSA-N	0	0	358.826	-0.565	40	0		FBABRN
CS(=O)(=O)NCC(=O)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1	ZINC000585288091	483831271	/nfs/dbraw/zinc/83/12/71/483831271.db2.gz	PKMPCEHNLFPHSP-SQWLQELKSA-N	0	0	354.428	-0.318	40	0		FBABRN
O=C(COc1ccc(F)cc1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585288099	483831291	/nfs/dbraw/zinc/83/12/91/483831291.db2.gz	PNAZVISKLZLGAQ-INMHGKMJSA-N	0	0	354.378	-0.531	40	0		FBABRN
COc1ccc(C)cc1C(=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585288195	483831146	/nfs/dbraw/zinc/83/11/46/483831146.db2.gz	QUGNSWPDNXMZEP-INMHGKMJSA-N	0	0	350.415	-0.118	40	0		FBABRN
CC(C)c1cc(C(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)n(C)n1	ZINC000585288310	483831057	/nfs/dbraw/zinc/83/10/57/483831057.db2.gz	UVSRTLXKWVZEGE-OAGGEKHMSA-N	0	0	352.435	-0.578	40	0		FBABRN
Cc1nn(CC(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)c(C)c1C	ZINC000585288346	483831361	/nfs/dbraw/zinc/83/13/61/483831361.db2.gz	WMNOLUKOARGPOA-INMHGKMJSA-N	0	0	352.435	-0.927	40	0		FBABRN
CCOc1ccccc1C(=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585288360	483831389	/nfs/dbraw/zinc/83/13/89/483831389.db2.gz	XJMIJXBJGTXTMV-INMHGKMJSA-N	0	0	350.415	-0.036	40	0		FBABRN
O=C(Cc1c(F)cccc1F)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585288387	483831233	/nfs/dbraw/zinc/83/12/33/483831233.db2.gz	YTCOZJXUJXLOLT-INMHGKMJSA-N	0	0	356.369	-0.228	40	0		FBABRN
CN1CCN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	ZINC000585289479	483830879	/nfs/dbraw/zinc/83/08/79/483830879.db2.gz	HWMJXTPARDTAJT-CVEARBPZSA-N	0	0	355.460	-0.970	40	0		FBABRN
CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000585289612	483830900	/nfs/dbraw/zinc/83/09/00/483830900.db2.gz	KSAYCKAZSJOXLT-PKARVDPGSA-N	0	0	361.446	-0.395	40	0		FBABRN
Cn1nccc1/C=C/C(=O)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1	ZINC000585289616	483830629	/nfs/dbraw/zinc/83/06/29/483830629.db2.gz	KTRGDYIKDRTJLN-KLSWABSNSA-N	0	0	350.419	-0.912	40	0		FBABRN
O[C@@H]1COC[C@@H](N2CCN(Cc3ccc4c(c3)OCCO4)CC2)[C@@H]1O	ZINC000585290263	483830710	/nfs/dbraw/zinc/83/07/10/483830710.db2.gz	ATTGBSAEQPUNTI-RKVPGOIHSA-N	0	0	350.415	-0.304	40	0		FBABRN
CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O	ZINC000585290329	483830633	/nfs/dbraw/zinc/83/06/33/483830633.db2.gz	BQEQNTDTWRIPFF-JFDPMQLKSA-N	0	0	367.490	-0.053	40	0		FBABRN
CC(=O)NC[C@]1(O)CCN(C(=O)/C=C/c2c(C)nn(C)c2C)C[C@H]1O	ZINC000585290573	483830818	/nfs/dbraw/zinc/83/08/18/483830818.db2.gz	YMJONCTUCCZSDV-AMFYOEQGSA-N	0	0	350.419	-0.489	40	0		FBABRN
O=C(/C=C/CN1CCOCC1)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O	ZINC000585290581	483830834	/nfs/dbraw/zinc/83/08/34/483830834.db2.gz	FOFAVSGGXGGWDS-FMYXEWMUSA-N	0	0	353.463	-0.395	40	0		FBABRN
Cn1cc(/C=C/C(=O)N2CC[C@@H](O)[C@@H](O)[C@H](N3CCOCC3)C2)cn1	ZINC000585290718	483831108	/nfs/dbraw/zinc/83/11/08/483831108.db2.gz	VEIRLINKKPNHSF-KLSWABSNSA-N	0	0	350.419	-0.912	40	0		FBABRN
O=C(/C=C/CN1CCOCC1)N1C[C@H](O)[C@@H](CC(=O)N2CCCC2)C1	ZINC000585290847	483831455	/nfs/dbraw/zinc/83/14/55/483831455.db2.gz	HVZQYOGXOYOPQD-PIGHNIFASA-N	0	0	351.447	-0.293	40	0		FBABRN
CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O	ZINC000585291022	483831403	/nfs/dbraw/zinc/83/14/03/483831403.db2.gz	ZNFRCCPBZZRXPD-PKARVDPGSA-N	0	0	361.446	-0.395	40	0		FBABRN
CC(C)C(=O)N[C@H]1CCN(C(=O)/C=C/CN2CCOCC2)CC[C@@H]1O	ZINC000585291168	483831161	/nfs/dbraw/zinc/83/11/61/483831161.db2.gz	MMRXNTWGYPXLSU-PIGHNIFASA-N	0	0	353.463	-0.001	40	0		FBABRN
NC(=O)C[C@@H](N)C(=O)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1	ZINC000585291268	483831355	/nfs/dbraw/zinc/83/13/55/483831355.db2.gz	OEAVUTIQLGVVAT-GTACMHHNSA-N	0	0	374.441	-0.580	40	0		FBABRN
CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O	ZINC000585291661	483831383	/nfs/dbraw/zinc/83/13/83/483831383.db2.gz	RGLKLQJDZDTQRS-USTLUXKUSA-N	0	0	353.463	-0.443	40	0		FBABRN
O=C(CN1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1)NCC1CCCCC1	ZINC000585291962	483831418	/nfs/dbraw/zinc/83/14/18/483831418.db2.gz	UFSPKPNFMURGSO-NUJGCVRESA-N	0	0	355.479	-0.579	40	0		FBABRN
C[N@@H+]1CCCN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	ZINC000585291963	483831173	/nfs/dbraw/zinc/83/11/73/483831173.db2.gz	WGWDSVYJEIHBGD-SJORKVTESA-N	0	0	369.487	-0.580	40	0		FBABRN
COCC(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)c3ccno3)C2)C1	ZINC000604381168	483865950	/nfs/dbraw/zinc/86/59/50/483865950.db2.gz	DUZMDKHCURUNSV-GFCCVEGCSA-N	0	0	350.375	-0.941	40	0	biogenic,in-vitro	FBABRN
CCCNC(=O)C[C@H]1C[C@H]2O[C@H](CNC(=O)N3CCOCC3)[C@@H](O)[C@H]2O1	ZINC000604381670	483865544	/nfs/dbraw/zinc/86/55/44/483865544.db2.gz	KMDFMXWXRGXISI-DFMBRWPFSA-N	0	0	371.434	-0.770	40	0	biogenic,in-vitro	FBABRN
CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)N3CCOCC3)C2)C1	ZINC000604381737	483865890	/nfs/dbraw/zinc/86/58/90/483865890.db2.gz	MGHOTJSCUUDQOL-OAHLLOKOSA-N	0	0	366.462	-0.308	40	0	biogenic,in-vitro	FBABRN
O=C(C[C@@H]1C[C@H]2O[C@H](CNC(=O)NC3CCC3)[C@@H](O)[C@H]2O1)NC1CC1	ZINC000604381806	483865933	/nfs/dbraw/zinc/86/59/33/483865933.db2.gz	PGUYLXVRPHDCCA-HGYYMRRCSA-N	0	0	353.419	-0.207	40	0	biogenic,in-vitro	FBABRN
CC(=O)N1CCC(N2CC3(C2)CN(C(C)=O)C[C@@H]2COCCN23)CC1	ZINC000604381819	483865649	/nfs/dbraw/zinc/86/56/49/483865649.db2.gz	PYIOGCRGJMEFMB-QGZVFWFLSA-N	0	0	350.463	-0.385	40	0	biogenic,in-vitro	FBABRN
CS(=O)(=O)N1C[C@@H]2COCCN2C2(CN(Cc3cccnc3)C2)C1	ZINC000604382098	483865853	/nfs/dbraw/zinc/86/58/53/483865853.db2.gz	DGTNKJKIHDAAAR-OAHLLOKOSA-N	0	0	352.460	-0.388	40	0	biogenic,in-vitro	FBABRN
CS(=O)(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)c3ccccc3)C2)C1	ZINC000604382105	483865911	/nfs/dbraw/zinc/86/59/11/483865911.db2.gz	DPYOJXAQRWGSKS-OAHLLOKOSA-N	0	0	365.455	-0.143	40	0	biogenic,in-vitro	FBABRN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC[C@@H]1CCS(=O)(=O)C1	ZINC000604406256	483866547	/nfs/dbraw/zinc/86/65/47/483866547.db2.gz	ZORBROOZJVNJSD-GWCFXTLKSA-N	0	0	365.411	-0.322	40	0		FBABRN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC[C@H]1CCS(=O)(=O)C1	ZINC000604406258	483866773	/nfs/dbraw/zinc/86/67/73/483866773.db2.gz	ZORBROOZJVNJSD-MFKMUULPSA-N	0	0	365.411	-0.322	40	0		FBABRN
C[C@H](NC(=O)C=Cc1ccco1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000644163631	484254299	/nfs/dbraw/zinc/25/42/99/484254299.db2.gz	KVMXOYCJJRUPKZ-SKBQGCEYSA-N	0	0	365.390	-0.370	40	0		FBABRN
C[C@H](NC(=O)C=Cc1ccco1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000644163632	484255193	/nfs/dbraw/zinc/25/51/93/484255193.db2.gz	KVMXOYCJJRUPKZ-ZHLQDTFKSA-N	0	0	365.390	-0.370	40	0		FBABRN
CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NCCOC)[C@@H](O)[C@H]2O1	ZINC000952844627	840130453	/nfs/dbraw/zinc/13/04/53/840130453.db2.gz	CPGMPYPOGAVRMH-PRSHDEELSA-N	0	0	359.423	-0.866	40	0	biogenic,in-vitro	FBABRN