smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1OCCN1CCC(O)CC1)ncnc2N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000013475658	561714673	/nfs/dbraw/zinc/71/46/73/561714673.db2.gz	UZHJWYKTOOGPHN-UHFFFAOYSA-N	0	1	531.617	2.700	1	30		KFEFMN
Cc1cc(O)c2c(c1)C(=O)c1ccc3c(c1C2=O)O[C@@]12O[C@@H](C)[C@@]4(O)[C@@]31C(C(=O)C[C@@]4(C)O)C(=O)c1c(O)cccc12	ZINC000014299522	561739493	/nfs/dbraw/zinc/73/94/93/561739493.db2.gz	PLVJCDOGVLFKEZ-HNPJFJHRSA-N	0	1	568.534	2.978	1	30		KFEFMN
C#CCN(Cc1cc2c(cc1Cl)nc(CN1CCN(CCO)CC1)n(C)c2=O)c1ccc(C(=O)NCc2cccnc2)cc1	ZINC000022036108	561759024	/nfs/dbraw/zinc/75/90/24/561759024.db2.gz	DHPUTTPWWGKHLP-UHFFFAOYSA-N	0	1	614.150	2.662	1	30		KFEFMN
C#CCN(Cc1cc2c(cc1Cl)nc(CN1CCN(C)CC1)n(C)c2=O)c1ccc(C(=O)NCCCn2ccnc2)cc1	ZINC000022040204	561759002	/nfs/dbraw/zinc/75/90/02/561759002.db2.gz	NZGBUYJLINOODR-UHFFFAOYSA-N	0	1	601.155	2.991	1	30		KFEFMN
CSCC[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)[C@@H]([NH2+]C[C@@H](N)CS)C(C)C)C(=O)[O-]	ZINC000026400090	561788034	/nfs/dbraw/zinc/78/80/34/561788034.db2.gz	IRNPHNMECKHFCH-QFUCXCTJSA-N	0	1	506.694	2.586	1	30		KFEFMN
CCCCCC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)OC)C(=O)[O-]	ZINC000026577428	561801517	/nfs/dbraw/zinc/80/15/17/561801517.db2.gz	XRNHYCWNCWJTCZ-MBEDZMRZSA-N	0	1	677.847	2.921	1	30		KFEFMN
CCCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)OC)C(=O)[O-]	ZINC000026577429	561801600	/nfs/dbraw/zinc/80/16/00/561801600.db2.gz	XRNHYCWNCWJTCZ-ORYMTKCHSA-N	0	1	677.847	2.921	1	30		KFEFMN
CCCCCC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCc1ccccc1)C(=O)OC)C(=O)[O-]	ZINC000026579476	561804704	/nfs/dbraw/zinc/80/47/04/561804704.db2.gz	JTDLQABYTLWHGW-ZXYZSCNASA-N	0	1	652.837	2.830	1	30		KFEFMN
CCCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCc1ccccc1)C(=O)OC)C(=O)[O-]	ZINC000026579477	561804880	/nfs/dbraw/zinc/80/48/80/561804880.db2.gz	JTDLQABYTLWHGW-KRCBVYEFSA-N	0	1	652.837	2.830	1	30		KFEFMN
COc1cc2cc(C(=O)N3C[C@H]4C[C@]45c4c([nH]c(C)c4C(=O)NCCN(C)C)C(=O)C=C35)[nH]c2c(OC)c1OC	ZINC000026748839	561819206	/nfs/dbraw/zinc/81/92/06/561819206.db2.gz	VRXZPDMEFUODPB-BCOMRZATSA-N	0	1	547.612	2.616	1	30		KFEFMN
CC[C@@H](C)[C@H]([NH3+])C(=O)[N-]S(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3ccc4cc(OC)ccc4c3)cs2)[C@H](O)[C@@H]1O	ZINC000027304616	561849382	/nfs/dbraw/zinc/84/93/82/561849382.db2.gz	WCVCPXUETPTILF-FSVKMABTSA-N	0	1	565.670	2.725	1	30		KFEFMN
CC[C@H](C)[C@H]([NH3+])C(=O)[N-]S(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3ccc4cc(OC)ccc4c3)cs2)[C@H](O)[C@@H]1O	ZINC000027304622	561849385	/nfs/dbraw/zinc/84/93/85/561849385.db2.gz	WCVCPXUETPTILF-WVMJGFSNSA-N	0	1	565.670	2.725	1	30		KFEFMN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C=C(C(=O)CO)C[C@@H]3O[C@@H]1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)O1	ZINC000027548574	561867484	/nfs/dbraw/zinc/86/74/84/561867484.db2.gz	MZPVBBDFQRWCAK-LYXXURBMSA-N	0	1	605.518	2.860	1	30		KFEFMN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C=C(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C)O1	ZINC000027548581	561867508	/nfs/dbraw/zinc/86/75/08/561867508.db2.gz	MZPVBBDFQRWCAK-VMQKWGEKSA-N	0	1	605.518	2.860	1	30		KFEFMN
CC(C)C[C@@H](C=O)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000028098222	581097063	/nfs/dbraw/zinc/09/70/63/581097063.db2.gz	PHTAIPSZDZRJOI-JIMJEQGWSA-N	0	1	533.629	2.705	1	30		KFEFMN
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000028098227	581097050	/nfs/dbraw/zinc/09/70/50/581097050.db2.gz	PHTAIPSZDZRJOI-NXCFDTQHSA-N	0	1	533.629	2.705	1	30		KFEFMN
CC(C)C[C@@H](C=O)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000028098234	581097031	/nfs/dbraw/zinc/09/70/31/581097031.db2.gz	PHTAIPSZDZRJOI-KKUQBAQOSA-N	0	1	533.629	2.705	1	30		KFEFMN
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000028098240	561901238	/nfs/dbraw/zinc/90/12/38/561901238.db2.gz	PHTAIPSZDZRJOI-GSDHBNRESA-N	0	1	533.629	2.705	1	30		KFEFMN
N#Cc1ccccc1N1CCN(C[C@H](O)Cn2nc(-c3ccc(I)cc3)c3c2CCN(C(N)=O)C3)CC1	ZINC000028334888	561913177	/nfs/dbraw/zinc/91/31/77/561913177.db2.gz	JZPAUGWNUBMJNM-QFIPXVFZSA-N	0	1	611.488	2.646	1	30		KFEFMN
N#Cc1ccccc1N1CCN(C[C@@H](O)Cn2nc(-c3ccc(I)cc3)c3c2CCN(C(N)=O)C3)CC1	ZINC000028334895	561913169	/nfs/dbraw/zinc/91/31/69/561913169.db2.gz	JZPAUGWNUBMJNM-JOCHJYFZSA-N	0	1	611.488	2.646	1	30		KFEFMN
C=C(Br)CN([C@H]1Cc2cc(C#N)ccc2N(Cc2cnc[nH]2)C1)S(=O)(=O)c1cn(C)cn1	ZINC000028815976	561963611	/nfs/dbraw/zinc/96/36/11/561963611.db2.gz	SZSNSZGZDIMTCR-IBGZPJMESA-N	0	1	516.425	2.546	1	30		KFEFMN
C=C(Br)CN([C@@H]1Cc2cc(C#N)ccc2N(Cc2cnc[nH]2)C1)S(=O)(=O)c1cn(C)cn1	ZINC000028815978	561963619	/nfs/dbraw/zinc/96/36/19/561963619.db2.gz	SZSNSZGZDIMTCR-LJQANCHMSA-N	0	1	516.425	2.546	1	30		KFEFMN
C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NCC=C	ZINC000028816949	561964466	/nfs/dbraw/zinc/96/44/66/561964466.db2.gz	SCIZHLJXWBFITA-CUPIEXAXSA-N	0	1	651.808	2.827	1	30		KFEFMN
C=CCN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000028816955	561964480	/nfs/dbraw/zinc/96/44/80/561964480.db2.gz	PBEKHMJUJBBTHM-YRCZKMHPSA-N	0	1	639.797	2.627	1	30		KFEFMN
CC(C)(O)CC[C@]1(C)c2ccccc2C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000028882699	561977303	/nfs/dbraw/zinc/97/73/03/561977303.db2.gz	WHALZZAUNQMQGF-XMMPIXPASA-N	0	1	533.628	2.932	1	30		KFEFMN
CC(C)(O)CC[C@@]1(C)c2ccccc2C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000028882704	561977339	/nfs/dbraw/zinc/97/73/39/561977339.db2.gz	WHALZZAUNQMQGF-DEOSSOPVSA-N	0	1	533.628	2.932	1	30		KFEFMN
Cc1cc(C#N)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C	ZINC000028952405	561981997	/nfs/dbraw/zinc/98/19/97/561981997.db2.gz	FRNSXNGJDFMFBE-NRFANRHFSA-N	0	1	517.552	2.805	1	30		KFEFMN
CCN(CC)CC1=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@@]2(C)[C@@H](COC)OC1=O	ZINC000029133974	562003818	/nfs/dbraw/zinc/00/38/18/562003818.db2.gz	VEFNHRBALMOEDS-DROVPKGLSA-N	0	1	503.592	2.594	1	30		KFEFMN
CCN(CC)CCN(C)CC1=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@@]2(C)[C@@H](COC)OC1=O	ZINC000029134172	562003956	/nfs/dbraw/zinc/00/39/56/562003956.db2.gz	XLQIJCZSMNRDNB-CFSRXDOHSA-N	0	1	560.688	2.526	1	30		KFEFMN
CCN(CC)CCN(CC)CC1=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@@]2(C)[C@@H](COC)OC1=O	ZINC000029134174	562003931	/nfs/dbraw/zinc/00/39/31/562003931.db2.gz	NFAZGJGXBSQDSG-XYOXHLLKSA-N	0	1	574.715	2.916	1	30		KFEFMN
COC[C@H]1OC(=O)C(CN(C)C(C)(C)C)=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@]21C	ZINC000029134676	562004211	/nfs/dbraw/zinc/00/42/11/562004211.db2.gz	YDFVIIKHTIIABF-MNORPUJZSA-N	0	1	517.619	2.983	1	30		KFEFMN
COc1ccc2c3c1O[C@@]1(C)C(=O)C=C[C@@]4(NC(=O)/C=C/c5ccc([N+](=O)[O-])cc5)[C@@H](C2)N(C)CC[C@]314	ZINC000036221236	562051431	/nfs/dbraw/zinc/05/14/31/562051431.db2.gz	OIFWWNKFALFTTK-IXKJBNIFSA-N	0	1	501.539	2.960	1	30		KFEFMN
CC(C)CC[C@@]1(O)c2ccccc2C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000036488416	562061019	/nfs/dbraw/zinc/06/10/19/562061019.db2.gz	XOHVPLMTZQHMGI-HSZRJFAPSA-N	0	1	519.601	2.747	1	30		KFEFMN
O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CCN(CCO)CC1	ZINC000040430427	562076864	/nfs/dbraw/zinc/07/68/64/562076864.db2.gz	RPWRQYOHVXHGBO-YRZTTZRYSA-N	0	1	512.408	2.569	1	30		KFEFMN
COCCOc1ccc(N2CCN(CCN(C)c3cc4nc(-c5cccc(C#N)c5)nn4c(N)n3)CC2)cc1	ZINC000040935403	562084996	/nfs/dbraw/zinc/08/49/96/562084996.db2.gz	CALAGWXXGJLXKE-UHFFFAOYSA-N	0	1	527.633	2.529	1	30		KFEFMN
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(N3CCC3)C(=C[C@@H](C)C[C@H](OC)/C(=N/O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000042806331	562089505	/nfs/dbraw/zinc/08/95/05/562089505.db2.gz	CTLKMQDBMKOTAF-UEWHUCHOSA-N	0	1	598.697	2.937	1	30		KFEFMN
CCCCCCCC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)OC)cc1	ZINC000043939050	562651282	/nfs/dbraw/zinc/65/12/82/562651282.db2.gz	OHYVOUPSUUKBEH-FUDKSRODSA-N	0	1	523.696	2.551	1	30		KFEFMN
O=C(C[C@H]1CN[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1)NCCCCCNC(=O)OCc1ccccc1	ZINC000044306488	562653745	/nfs/dbraw/zinc/65/37/45/562653745.db2.gz	KMMSPMPORWBMTE-CXXWFMJBSA-N	0	1	593.725	2.705	1	30		KFEFMN
O=C(C[C@@H]1CN[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1)NCCCCCNC(=O)OCc1ccccc1	ZINC000044306493	562653766	/nfs/dbraw/zinc/65/37/66/562653766.db2.gz	KMMSPMPORWBMTE-BZTWYALFSA-N	0	1	593.725	2.705	1	30		KFEFMN
O=C(C[C@H]1CN[C@H](C(=O)N2CC[C@@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1)NCCCCCNC(=O)OCc1ccccc1	ZINC000044306497	562653786	/nfs/dbraw/zinc/65/37/86/562653786.db2.gz	KMMSPMPORWBMTE-BRRPBMHLSA-N	0	1	593.725	2.705	1	30		KFEFMN
O=C(C[C@@H]1CN[C@H](C(=O)N2CC[C@@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1)NCCCCCNC(=O)OCc1ccccc1	ZINC000044306502	562653789	/nfs/dbraw/zinc/65/37/89/562653789.db2.gz	KMMSPMPORWBMTE-ZLMHUZRLSA-N	0	1	593.725	2.705	1	30		KFEFMN
N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)C2)cc1	ZINC000044362207	562655782	/nfs/dbraw/zinc/65/57/82/562655782.db2.gz	FHUAGMIMNACXJX-DGPALRBDSA-N	0	1	596.688	2.860	1	30		KFEFMN
N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)C2)cc1	ZINC000044362215	562655798	/nfs/dbraw/zinc/65/57/98/562655798.db2.gz	FHUAGMIMNACXJX-JDXGNMNLSA-N	0	1	596.688	2.860	1	30		KFEFMN
C=CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H](N)Cc1ccc(F)cc1	ZINC000044386506	562655960	/nfs/dbraw/zinc/65/59/60/562655960.db2.gz	VAMQVBPONNLIMF-PVHODMMVSA-N	0	1	516.617	2.822	1	30		KFEFMN
CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/c2ccccc2)O[C@H]1Oc1ccc(C(=O)/C=C/c2ccc(O)cc2)c(O)c1O	ZINC000044386803	562655981	/nfs/dbraw/zinc/65/59/81/562655981.db2.gz	SBEYXFRVWXXGPA-KHVJMIKNSA-N	0	1	606.580	2.713	1	30		KFEFMN
CC#CCOc1ccc(S(=O)(=O)N(C)c2c(N3CCN(C)CC3)ccc(Br)c2C(=O)NO)cc1	ZINC000044430326	562657468	/nfs/dbraw/zinc/65/74/68/562657468.db2.gz	AVPJZTNLOKMJMG-UHFFFAOYSA-N	0	1	551.463	2.547	1	30		KFEFMN
Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c1nccc2N1CCC(C(=O)N2CCN(C)CC2)CC1	ZINC000049112117	562664556	/nfs/dbraw/zinc/66/45/56/562664556.db2.gz	OZSMHSFVPXRVBD-KQWNVCNZSA-N	0	1	501.587	2.886	1	30		KFEFMN
COC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2C[C@H](O)CN2CCN(c3ccccc3C#N)CC2)C1	ZINC000049694747	562669689	/nfs/dbraw/zinc/66/96/89/562669689.db2.gz	SFPOBTDGZXMIHZ-HSZRJFAPSA-N	0	1	577.085	2.624	1	30		KFEFMN
COC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2C[C@@H](O)CN2CCN(c3ccccc3C#N)CC2)C1	ZINC000049694748	562669705	/nfs/dbraw/zinc/66/97/05/562669705.db2.gz	SFPOBTDGZXMIHZ-QHCPKHFHSA-N	0	1	577.085	2.624	1	30		KFEFMN
COc1cc(C(C)=O)cc(C2=C(OC)C(=O)C(=C3C=C(C(C)=O)C=C(OC)C3=O)C(=O)C2C(C)=O)c1O	ZINC000049708289	562670888	/nfs/dbraw/zinc/67/08/88/562670888.db2.gz	QWTUECRHPGNRSX-OQKWZONESA-N	0	1	508.479	2.870	1	30		KFEFMN
CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@H](O)CO	ZINC000049735205	562673420	/nfs/dbraw/zinc/67/34/20/562673420.db2.gz	UIMZVNGQZXUGMB-CUPIEXAXSA-N	0	1	706.885	2.598	1	30		KFEFMN
CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@@H](O)CO	ZINC000049735206	562673401	/nfs/dbraw/zinc/67/34/01/562673401.db2.gz	UIMZVNGQZXUGMB-WNQXLSPZSA-N	0	1	706.885	2.598	1	30		KFEFMN
CON[C@@]1(CCC(C)C)c2ccccc2C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000049878105	562690433	/nfs/dbraw/zinc/69/04/33/562690433.db2.gz	BRZVIQAIGRPDDZ-DEOSSOPVSA-N	0	1	548.643	2.905	1	30		KFEFMN
CON[C@]1(CCC(C)C)c2ccccc2C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O	ZINC000049878151	562690463	/nfs/dbraw/zinc/69/04/63/562690463.db2.gz	BRZVIQAIGRPDDZ-XMMPIXPASA-N	0	1	548.643	2.905	1	30		KFEFMN
CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)cc1)n2CCC(=O)N1CCNCC1	ZINC000049878419	562690554	/nfs/dbraw/zinc/69/05/54/562690554.db2.gz	HREIMJBGVAQVLD-UHFFFAOYSA-N	0	1	541.656	3.525	1	30		KFEFMN
CCCCN(C)CC1=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@@]2(C)[C@@H](COC)OC1=O	ZINC000053214608	562696443	/nfs/dbraw/zinc/69/64/43/562696443.db2.gz	RWJMVOYUFSPBIF-BNNBOEQISA-N	0	1	517.619	2.984	1	30		KFEFMN
Cc1ccc(C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(C(N)=O)n1C	ZINC000058649382	562701270	/nfs/dbraw/zinc/70/12/70/562701270.db2.gz	GOLRXYBFRBKBAG-UHFFFAOYSA-N	0	1	568.600	2.608	1	30	in-vitro	KFEFMN
COc1c(N2CCC[C@H]([N@@H+](C)CCN3c4ccccc4/C(=N/NC(N)=S)C3=O)C2)ccc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000058650162	562701306	/nfs/dbraw/zinc/70/13/06/562701306.db2.gz	PAMSOSARJJQNEZ-WHPBYYJBSA-N	0	1	617.732	2.528	1	30		KFEFMN
COc1c(N2CCC[C@@H]([N@@H+](C)CCN3c4ccccc4/C(=N/NC(N)=S)C3=O)C2)ccc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000064436552	562705196	/nfs/dbraw/zinc/70/51/96/562705196.db2.gz	PAMSOSARJJQNEZ-ULHHHGMTSA-N	0	1	617.732	2.528	1	30		KFEFMN
CNOC(=O)[C@@H]1CN(c2ncc(C(=O)NC)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000066073769	562709534	/nfs/dbraw/zinc/70/95/34/562709534.db2.gz	WRRYTLCILFNRJB-QFIPXVFZSA-N	0	1	535.476	2.581	1	30		KFEFMN
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OCc1cn([C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)nn1)c1ccnc2ccccc21	ZINC000066099575	562711086	/nfs/dbraw/zinc/71/10/86/562711086.db2.gz	BAEQUNQBNKEPGR-STGGEGKUSA-N	0	1	599.692	2.660	1	30		KFEFMN
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](OCc1cn([C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)nn1)c1ccnc2ccccc21	ZINC000066099575	562711085	/nfs/dbraw/zinc/71/10/85/562711085.db2.gz	BAEQUNQBNKEPGR-STGGEGKUSA-N	0	1	599.692	2.660	1	30		KFEFMN
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OCc1cn([C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)nn1)c1ccnc2ccccc21	ZINC000066113476	562712194	/nfs/dbraw/zinc/71/21/94/562712194.db2.gz	BAEQUNQBNKEPGR-MZBXAQSWSA-N	0	1	599.692	2.660	1	30		KFEFMN
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](OCc1cn([C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)nn1)c1ccnc2ccccc21	ZINC000066113476	562712193	/nfs/dbraw/zinc/71/21/93/562712193.db2.gz	BAEQUNQBNKEPGR-MZBXAQSWSA-N	0	1	599.692	2.660	1	30		KFEFMN
CNC(=O)c1ncc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(CCO)CC4)c(C(F)(F)F)c3)ccc2C)n1C	ZINC000071294545	562716934	/nfs/dbraw/zinc/71/69/34/562716934.db2.gz	SUXYGJZMCWKJJI-UHFFFAOYSA-N	0	1	582.627	2.869	1	30	in-vitro	KFEFMN
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(C(=O)NCCO)n1C	ZINC000071295922	562717370	/nfs/dbraw/zinc/71/73/70/562717370.db2.gz	XRDYVAXJJGPOKY-UHFFFAOYSA-N	0	1	582.627	2.869	1	30		KFEFMN
COc1ccc(CN2CCN(CCCOc3ccc(C(=O)N=C(N)N)cc3NS(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC	ZINC000072118618	562723572	/nfs/dbraw/zinc/72/35/72/562723572.db2.gz	AMVZKGKPUOJLBR-UHFFFAOYSA-N	0	1	654.790	2.822	1	30		KFEFMN
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OCc1cn([C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)nn1)c1ccnc2ccc(OC)cc21	ZINC000072123668	562724818	/nfs/dbraw/zinc/72/48/18/562724818.db2.gz	RZWDKPPSNLGCSP-QLOCYROSSA-N	0	1	629.718	2.669	1	30		KFEFMN
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](OCc1cn([C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)nn1)c1ccnc2ccc(OC)cc21	ZINC000072123668	562724817	/nfs/dbraw/zinc/72/48/17/562724817.db2.gz	RZWDKPPSNLGCSP-QLOCYROSSA-N	0	1	629.718	2.669	1	30		KFEFMN
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OCc1cn([C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)nn1)c1ccnc2ccc(OC)cc21	ZINC000072123670	562724832	/nfs/dbraw/zinc/72/48/32/562724832.db2.gz	RZWDKPPSNLGCSP-GOUBFSNWSA-N	0	1	629.718	2.669	1	30		KFEFMN
COc1c(N2CCC[C@@H]([N@@H+](C)CCN3c4ccc(F)cc4/C(=N/NC(N)=S)C3=O)C2)ccc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000072130117	562726648	/nfs/dbraw/zinc/72/66/48/562726648.db2.gz	JAOUUWGCFHMXAV-JQMITJAESA-N	0	1	635.722	2.667	1	30		KFEFMN
CC(=O)OC[C@H]1O[C@H](Oc2cc(C)cc3c2C(=O)C=C(c2c(C)cc4c(c2O)C(=O)C=CC4=O)C3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000072169819	562730272	/nfs/dbraw/zinc/73/02/72/562730272.db2.gz	IBNWQVUJAUEYNB-PVUGLOPRSA-N	0	1	704.637	2.869	1	30		KFEFMN
CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc3c2C(=O)C=C(c2c(C)cc4c(c2O)C(=O)C=CC4=O)C3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000072169820	562730268	/nfs/dbraw/zinc/73/02/68/562730268.db2.gz	IBNWQVUJAUEYNB-JKKZMXRJSA-N	0	1	704.637	2.869	1	30		KFEFMN
CN1CCN(CCN([C@@H]2CC=CCN(O)C2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1	ZINC000073166696	562734550	/nfs/dbraw/zinc/73/45/50/562734550.db2.gz	ZODGWBSBSVHUNW-XMMPIXPASA-N	0	1	535.066	2.917	1	30		KFEFMN
CC(C)C[C@H]([NH3+])C(=O)[N-]S(=O)(=O)OC[C@H]1O[C@@H](c2nc(CCc3cccc(Oc4ccccc4)c3)ns2)[C@H](O)[C@@H]1O	ZINC000073220416	562736275	/nfs/dbraw/zinc/73/62/75/562736275.db2.gz	JRQCWDAEJKBECV-YMXDKZJPSA-N	0	1	606.723	2.869	1	30		KFEFMN
CC(C)C[C@H]([NH3+])C(=O)[N-]S(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3ccc(Oc4ccccc4)cc3)ns2)[C@H](O)[C@@H]1O	ZINC000082158122	562741070	/nfs/dbraw/zinc/74/10/70/562741070.db2.gz	WNGDWVAWIQUNIF-ZSYZGHEHSA-N	0	1	578.669	2.750	1	30		KFEFMN
C=C[C@@H]1[C@H](CC(=O)[O-])C(C(=O)OC)=CC2(CCCC2)[C@H]1O[C@@H]1O[C@H](CO)[C@]23OC(CCCO)=C4[NH2+]C([C@H](C)C5CCCCC5)=CC4=C2CC[C@@]1(O)[C@H]3O	ZINC000085507201	291751948	/nfs/dbraw/zinc/75/19/48/291751948.db2.gz	BMXIDDCLAONGLX-HKILWDEASA-N	0	1	738.895	2.839	1	30	biogenic,in-vitro	KFEFMN
CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c1nc(C#CCCCCc1cn(CCCCCCN[C@@H]4SC[C@H]5NC(=O)N[C@H]45)nn1)nc3NCc1cccc(Cl)c1)[C@H](O)[C@@H]2O	ZINC000095537387	562754368	/nfs/dbraw/zinc/75/43/68/562754368.db2.gz	WWOGGVDTYZTLQE-KYMMXHDYSA-N	0	1	817.421	2.750	1	30		KFEFMN
CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c1nc(C#CCCCCc1cn(CCCCCCN[C@@H]4SC[C@H]5NC(=O)N[C@@H]45)nn1)nc3NCc1cccc(Cl)c1)[C@H](O)[C@@H]2O	ZINC000095537389	562754380	/nfs/dbraw/zinc/75/43/80/562754380.db2.gz	WWOGGVDTYZTLQE-SRRDLFSJSA-N	0	1	817.421	2.750	1	30		KFEFMN
CO[C@]1(C)C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@@H](/C(C)=N/[O-])[C@@H](C)[C@H]3O[C@](C)(C[C@H]3C)[C@H](O[C@@H]3O[C@H](C)C[C@H]([NH+](C)C)[C@H]3O)[C@H]2C)O[C@@H](C)[C@@H]1O	ZINC000095547849	562758933	/nfs/dbraw/zinc/75/89/33/562758933.db2.gz	FRVZOHDHSMBYPA-JTGWPUCRSA-N	0	1	672.857	2.951	1	30		KFEFMN
CCOC(=O)c1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(O)c(/C=N/N2C(=O)c3ccccc3C2=O)c1	ZINC000095557207	562762001	/nfs/dbraw/zinc/76/20/01/562762001.db2.gz	HYBUMNXHFNMUGV-JOFLXYQRSA-N	0	1	510.462	2.829	1	30		KFEFMN
CC[C@@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@@H]2[C@H]1C	ZINC000095605716	562781657	/nfs/dbraw/zinc/78/16/57/562781657.db2.gz	IUPCWCLVECYZRV-LFXUBYOJSA-N	0	1	581.747	2.670	1	30		KFEFMN
CC(=O)O[C@@H]1C2=C(C)[C@@H](OC(=O)[C@H](O)CNC(=O)c3ccc(N=[N+]=[N-])cc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C	ZINC000095608832	562783734	/nfs/dbraw/zinc/78/37/34/562783734.db2.gz	VGRNAVLNNPJBCB-PTGARHHTSA-N	0	1	818.833	2.936	1	30		KFEFMN
CC(=O)O[C@@H]1C2=C(C)[C@@H](OC(=O)[C@H](O)CNC(=O)c3ccc(N=[N+]=[N-])cc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C	ZINC000095608833	562783757	/nfs/dbraw/zinc/78/37/57/562783757.db2.gz	VGRNAVLNNPJBCB-DGZPLXIUSA-N	0	1	818.833	2.936	1	30		KFEFMN
COCCNC(=O)c1cc2c(c(-c3cccc(C#CCN(C)C)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2	ZINC000095665543	562788208	/nfs/dbraw/zinc/78/82/08/562788208.db2.gz	VRAUMVGSWNRTLA-KSPMJJNASA-N	0	1	526.703	2.739	1	30		KFEFMN
COCCNC(=O)c1cc2c(c(-c3cccc(C#CCN(C)C)c3)n1)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C2	ZINC000095665544	562788187	/nfs/dbraw/zinc/78/81/87/562788187.db2.gz	VRAUMVGSWNRTLA-HYAJJASKSA-N	0	1	526.703	2.739	1	30		KFEFMN
CN(C)CC#Cc1cccc(-c2nc(C(=O)NCCCN3CCOCC3)cc3c2[C@H](CCO)N([S@](=O)C(C)(C)C)C3)c1	ZINC000095872545	562790112	/nfs/dbraw/zinc/79/01/12/562790112.db2.gz	ZULKXFIPSRALQH-PJVIOAIDSA-N	0	1	595.810	2.815	1	30		KFEFMN
CN(C)CC#Cc1cccc(-c2nc(C(=O)NCCCN3CCOCC3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1	ZINC000095872546	562790085	/nfs/dbraw/zinc/79/00/85/562790085.db2.gz	ZULKXFIPSRALQH-VCDCVWTQSA-N	0	1	595.810	2.815	1	30		KFEFMN
CN1CCC[C@@H](NC(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)C1	ZINC000096176334	562792336	/nfs/dbraw/zinc/79/23/36/562792336.db2.gz	WMNFQSASTFRMSE-XMMPIXPASA-N	0	1	570.600	2.724	1	30		KFEFMN
C[C@H](Sc1nc(-c2ccc(Cl)c(F)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000096269983	562793108	/nfs/dbraw/zinc/79/31/08/562793108.db2.gz	DGPLKIFFYFAJEC-JTQLQIEISA-N	0	1	507.956	2.868	1	30		KFEFMN
C[C@@H](Sc1nc(-c2ccc(Cl)c(F)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000096269984	562793083	/nfs/dbraw/zinc/79/30/83/562793083.db2.gz	DGPLKIFFYFAJEC-SNVBAGLBSA-N	0	1	507.956	2.868	1	30		KFEFMN
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCF)=C(C[C@@H](C)C[C@H](OC)/C(=N/O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000101179067	562809719	/nfs/dbraw/zinc/80/97/19/562809719.db2.gz	DKUGLUIKFWVLNT-JZAKAPSZSA-N	0	1	604.676	2.790	1	30		KFEFMN
C[C@@]1(C(=O)N2CCOCC2)CO[C@@H](c2nc(-c3ccnc(NCCC#N)n3)c(-c3ccc(F)cc3)[nH]2)OC1	ZINC000101348116	562810382	/nfs/dbraw/zinc/81/03/82/562810382.db2.gz	AZFIMQZHXQXLQZ-OJBMAJLDSA-N	0	1	521.553	2.909	1	30		KFEFMN
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(N3CCC3)C(=C[C@@H](C)C[C@H](OC)/C(=N\O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000101494333	562811005	/nfs/dbraw/zinc/81/10/05/562811005.db2.gz	CTLKMQDBMKOTAF-OBFMNTBYSA-N	0	1	598.697	2.937	1	30		KFEFMN
CO[C@H]1C2=CC(=O)C(=O)C(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@@H](OC)[C@@H](OC)C[C@@H]1C)C2=O	ZINC000103137239	562814443	/nfs/dbraw/zinc/81/44/43/562814443.db2.gz	JPFKXBRAIMKSHO-PVMVKREDSA-N	0	1	590.670	2.599	1	30		KFEFMN
O=C1/C(=N\Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)SC(=S)N1Cc1nc2ccccc2[nH]1	ZINC000103176462	562815073	/nfs/dbraw/zinc/81/50/73/562815073.db2.gz	CEIPPYMRXFPKEW-OVVQPSECSA-N	0	1	524.613	2.940	1	30		KFEFMN
COc1cc2c(c(O)c1)C(=O)O[C@@]21C(C)=CC(=O)[C@]12C(=O)c1c(O)c(O)cc3oc(=O)c4c(O)cc(OC)c2c4c31	ZINC000103226614	562817824	/nfs/dbraw/zinc/81/78/24/562817824.db2.gz	LTUNCRKOTGNALE-VMPREFPWSA-N	0	1	558.451	2.815	1	30		KFEFMN
CC[C@H]1/C=C/[C@H]([C@@H](C)O)OC(=O)[C@@]2(C)C=CC(=O)NC3=C2C(=O)c2c(cc(C)c(O)c2C(=O)CC1)C3=O	ZINC000103256128	562820795	/nfs/dbraw/zinc/82/07/95/562820795.db2.gz	LTSASGAMBZVFMC-WJYLTRCPSA-N	0	1	507.539	2.878	1	30		KFEFMN
CC[C@@H]1/C=C/[C@H]([C@@H](C)O)OC(=O)[C@@]2(C)C=CC(=O)NC3=C2C(=O)c2c(cc(C)c(O)c2C(=O)CC1)C3=O	ZINC000103256130	562820769	/nfs/dbraw/zinc/82/07/69/562820769.db2.gz	LTSASGAMBZVFMC-ACAQEAPNSA-N	0	1	507.539	2.878	1	30		KFEFMN
CC[C@H]1/C=C/[C@H]([C@H](C)O)OC(=O)[C@@]2(C)C=CC(=O)NC3=C2C(=O)c2c(cc(C)c(O)c2C(=O)CC1)C3=O	ZINC000103256133	562820850	/nfs/dbraw/zinc/82/08/50/562820850.db2.gz	LTSASGAMBZVFMC-FGTPXMFMSA-N	0	1	507.539	2.878	1	30		KFEFMN
CC[C@@H]1/C=C/[C@H]([C@H](C)O)OC(=O)[C@@]2(C)C=CC(=O)NC3=C2C(=O)c2c(cc(C)c(O)c2C(=O)CC1)C3=O	ZINC000103256135	562820826	/nfs/dbraw/zinc/82/08/26/562820826.db2.gz	LTSASGAMBZVFMC-MWJOBHMVSA-N	0	1	507.539	2.878	1	30		KFEFMN
CN1CCC[C@H](NC(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)C1	ZINC000144983729	562836831	/nfs/dbraw/zinc/83/68/31/562836831.db2.gz	WMNFQSASTFRMSE-DEOSSOPVSA-N	0	1	570.600	2.724	1	30		KFEFMN
CCc1ncnc(-c2ccc(C(=O)NC3CC(N4CCN(C)CC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1	ZINC000148693768	562841656	/nfs/dbraw/zinc/84/16/56/562841656.db2.gz	VONFXXSSJFKPNK-UHFFFAOYSA-N	0	1	513.621	2.730	1	30		KFEFMN
CCc1ncnc(N2CCN(C(C)=O)CC2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1	ZINC000149141824	562842233	/nfs/dbraw/zinc/84/22/33/562842233.db2.gz	WUXVGZQTZJXJAT-UHFFFAOYSA-N	0	1	522.606	2.751	1	30		KFEFMN
CC(=O)N1CCCN(c2ncnc(C)c2C#Cc2cnc(C)c(NS(=O)(=O)c3ccccc3)c2)CC1	ZINC000149149677	562842275	/nfs/dbraw/zinc/84/22/75/562842275.db2.gz	KQEQDBFDHQXYSV-UHFFFAOYSA-N	0	1	504.616	2.748	1	30		KFEFMN
CO[C@@H]1[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@@H]1OC)C2=O	ZINC000150531147	562843803	/nfs/dbraw/zinc/84/38/03/562843803.db2.gz	XASSVJXRYGMCHN-BAVALTNYSA-N	0	1	630.783	2.567	1	30		KFEFMN
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000150542945	562844287	/nfs/dbraw/zinc/84/42/87/562844287.db2.gz	KUGLEUZHXUCTBM-CYBKUVEASA-N	0	1	761.917	2.939	1	30		KFEFMN
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](NCC(F)F)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000150551438	562844603	/nfs/dbraw/zinc/84/46/03/562844603.db2.gz	VSTRGANTIHHZQP-QIOGQYACSA-N	0	1	679.806	2.776	1	30		KFEFMN
CO/N=C1\[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@@H]1OC)C2=O	ZINC000150607987	562848141	/nfs/dbraw/zinc/84/81/41/562848141.db2.gz	LLOSTMAXCIDAGO-IRMNAWAZSA-N	0	1	643.782	2.555	1	30		KFEFMN
Nc1nc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)c([C@@]2(C=CCNC(=O)c3cc(Br)c(Br)[nH]3)NC(=[NH2+])N=C2NCCS(=O)(=O)[O-])[nH]1	ZINC000150617587	562848838	/nfs/dbraw/zinc/84/88/38/562848838.db2.gz	YKINYXUSZLKEHU-LNCKGOFISA-N	0	1	899.219	2.527	1	30		KFEFMN
Nc1nc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)c([C@]2(C=CCNC(=O)c3cc(Br)c(Br)[nH]3)NC(=[NH2+])N=C2NCCS(=O)(=O)[O-])[nH]1	ZINC000150617590	562848836	/nfs/dbraw/zinc/84/88/36/562848836.db2.gz	YKINYXUSZLKEHU-DGUIPAAWSA-N	0	1	899.219	2.527	1	30		KFEFMN
CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c1nc(C#CCCCCc1cn(CCCCCCN[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)nn1)nc3NCc1cccc(Cl)c1)[C@H](O)[C@@H]2O	ZINC000169311956	562855242	/nfs/dbraw/zinc/85/52/42/562855242.db2.gz	WWOGGVDTYZTLQE-IKGXQIGWSA-N	0	1	817.421	2.750	1	30		KFEFMN
CC(=O)O[C@H]1[C@H]([C@@H]2C[N@@H+](C)CCN(C)C2=O)[C@H](OC(=O)/C=C/c2ccccc2)C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C	ZINC000169322660	562856845	/nfs/dbraw/zinc/85/68/45/562856845.db2.gz	VSINLEFDBQVHCV-LKDNZLMFSA-N	0	1	522.642	2.981	1	30		KFEFMN
CC(=O)O[C@H]1[C@H]([C@H]2C[N@@H+](C)CCN(C)C2=O)[C@H](OC(=O)/C=C/c2ccccc2)C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C	ZINC000169322662	562856826	/nfs/dbraw/zinc/85/68/26/562856826.db2.gz	VSINLEFDBQVHCV-HTMQSIMBSA-N	0	1	522.642	2.981	1	30		KFEFMN
CNOC(=O)[C@H]1CN(c2ncc(C(=O)NC)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000169344112	562861306	/nfs/dbraw/zinc/86/13/06/562861306.db2.gz	WRRYTLCILFNRJB-JOCHJYFZSA-N	0	1	535.476	2.581	1	30		KFEFMN
CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)C(=CC4=O)NC(=O)[C@@H](C)CC(=O)[C@@H]3C[C@@H]3[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O	ZINC000169347178	562861915	/nfs/dbraw/zinc/86/19/15/562861915.db2.gz	BQGKIAIZJVYLNB-OHSBTZGUSA-N	0	1	711.761	2.723	1	30		KFEFMN
CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)C(=CC4=O)NC(=O)[C@H](C)CC(=O)[C@@H]3C[C@@H]3[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O	ZINC000169347180	562861897	/nfs/dbraw/zinc/86/18/97/562861897.db2.gz	BQGKIAIZJVYLNB-UDGFKBRZSA-N	0	1	711.761	2.723	1	30		KFEFMN
CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=C(NCCC[NH+](C)C)C4=O)NC(=O)C(C)=CC(=O)[C@@H]3C[C@@H]3[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O	ZINC000169347219	562861936	/nfs/dbraw/zinc/86/19/36/562861936.db2.gz	CZEPFDCPYLTQMS-XBCMTPNASA-N	0	1	809.910	2.512	1	30		KFEFMN
C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)N(C)CCN5CCN(C)CC5)cn(C)c43)C[C@@H]2N1C(=O)NCc1ccccc1	ZINC000217578990	562877618	/nfs/dbraw/zinc/87/76/18/562877618.db2.gz	WXJJFQFWJXJCNS-UWXQCODUSA-N	0	1	775.955	2.940	1	30		KFEFMN
Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3C#CC3CC3)CC2)cn1	ZINC000299824416	562883243	/nfs/dbraw/zinc/88/32/43/562883243.db2.gz	BYEMBCMKWLSJMV-UHFFFAOYSA-N	0	1	549.497	2.643	1	30		KFEFMN
COc1ccc2cc([C@H](C)C(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=CN[C@@H](Cc3cnc[nH]3)C(=O)[O-])OC(C)=O)ccc2c1	ZINC000299847494	562889932	/nfs/dbraw/zinc/88/99/32/562889932.db2.gz	KXTYAXXZOFHNIV-IDAOHHOESA-N	0	1	697.694	2.712	1	30		KFEFMN
COc1ccc2cc([C@H](C)C(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=CN[C@@H](Cc3cnc[nH]3)C(=O)[O-])OC(C)=O)ccc2c1	ZINC000299847497	562889945	/nfs/dbraw/zinc/88/99/45/562889945.db2.gz	KXTYAXXZOFHNIV-KLBJGZCXSA-N	0	1	697.694	2.712	1	30		KFEFMN
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CN(C(=O)CN)C1)[C@H]2c1ccc(Sc2nc3ccccc3[nH]2)o1	ZINC000299853367	562891145	/nfs/dbraw/zinc/89/11/45/562891145.db2.gz	JIKLDOKHOPBGQI-OAQYLSRUSA-N	0	1	532.582	2.993	1	30		KFEFMN
O=C(CCCCNc1nc(NS(=O)(=O)c2ccc(F)cc2)nc2c1ncn2Cc1ccccc1)NO	ZINC000653693454	562906859	/nfs/dbraw/zinc/90/68/59/562906859.db2.gz	SMVJYARKZKRWEK-UHFFFAOYSA-N	0	1	513.555	2.902	1	30		KFEFMN
COc1ccc(S(=O)(=O)Nc2nc3c(ncn3Cc3ccccc3)c(NCCCCC(=O)NO)n2)cc1	ZINC000653699260	562907227	/nfs/dbraw/zinc/90/72/27/562907227.db2.gz	QFIKEZOYYWEZKB-UHFFFAOYSA-N	0	1	525.591	2.772	1	30		KFEFMN
CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cc(Cl)cc(Cl)c2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000653713142	562908215	/nfs/dbraw/zinc/90/82/15/562908215.db2.gz	GUJYMFKZEYXGPN-QPTZCFKPSA-N	0	1	561.367	2.797	1	30		KFEFMN
CO/N=C(/Cc1c(F)cnc2ccc(OC)nc21)C12CCC(NCc3ccc4c(n3)NC(=O)CO4)(CC1)CO2	ZINC000653777936	562911979	/nfs/dbraw/zinc/91/19/79/562911979.db2.gz	WYKRQYUZOGWAJD-ZXSNDDASSA-N	0	1	536.564	2.920	1	30		KFEFMN
CC(C)(C)c1ccc2occ(C=N[N-]c3nc(N4CCOCC4)c4c([nH+]3)CCS(=O)(=O)C4)c(=O)c2c1	ZINC000653884741	562916973	/nfs/dbraw/zinc/91/69/73/562916973.db2.gz	DUUIQPKDUXQYPW-LGJNPRDNSA-N	0	1	511.604	2.634	1	30		KFEFMN
COc1ccc(NC(=O)N(C)C[C@@H]2Oc3cc(C#CCN(C)C)ccc3S(=O)(=O)N([C@H](C)CO)C[C@H]2C)cc1	ZINC000095661859	562788056	/nfs/dbraw/zinc/78/80/56/562788056.db2.gz	BTAXIRVUQPPFKV-YPCDYVTLSA-N	0	1	558.701	2.541	3	30		KFEFMN