smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2[nH]cc3c2C(=[NH+]CC3)C2=C1NCC[C@@]1([N+](=O)[O-])C=C(Br)C(=O)C(Br)=C21	ZINC000001618508	561677835	/nfs/dbraw/zinc/67/78/35/561677835.db2.gz	IZWVESLZBXMYDV-GOSISDBHSA-N	1	1	508.126	2.330	1	30		KEEFMO
CC(=O)OC[C@H]1O[C@@H](O/N=C(\C)CCN2CCCc3[nH+]c(C)c(C)cc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000008035676	561704643	/nfs/dbraw/zinc/70/46/43/561704643.db2.gz	PQFLHSCSVLFDMQ-GZHINXLJSA-N	1	1	577.631	2.317	1	30		KEEFMO
CCc1cc2c(nc1CC)CC[N@@H+](CC/C(C)=N/O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C2	ZINC000008035754	561704868	/nfs/dbraw/zinc/70/48/68/561704868.db2.gz	ARUVJCBJOZWBGJ-OHXCDUNUSA-N	1	1	605.685	2.430	1	30		KEEFMO
N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CC[NH2+]CC4)cc3)cc2)CCCCC1	ZINC000013676348	561724170	/nfs/dbraw/zinc/72/41/70/561724170.db2.gz	AZNDDHOZPWLFFK-UHFFFAOYSA-N	1	1	509.632	2.020	1	30		KEEFMO
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](C[NH2+]Cc2ccc(NC(C)=O)cc2)C(=O)NO)cc1	ZINC000026185968	561772643	/nfs/dbraw/zinc/77/26/43/561772643.db2.gz	BTLHAVYKRJDJTO-XMMPIXPASA-N	1	1	570.624	2.237	1	30		KEEFMO
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCOCC1	ZINC000026281761	561779136	/nfs/dbraw/zinc/77/91/36/561779136.db2.gz	IWLYSDNBOSWMRQ-JWQCQUIFSA-N	1	1	512.651	2.263	1	30		KEEFMO
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccc2ccccc21)C(=O)NCCC[NH+]1CCOCC1	ZINC000026294448	561781133	/nfs/dbraw/zinc/78/11/33/561781133.db2.gz	UMZQUWRHZNAVMN-ILBGXUMGSA-N	1	1	512.651	2.263	1	30		KEEFMO
COc1cc(OC)c(C(=O)CCCC[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1NS(=O)(=O)c1ccc(C#N)cc1	ZINC000026646152	561807492	/nfs/dbraw/zinc/80/74/92/561807492.db2.gz	GYCHMCNDCKTYHI-UHFFFAOYSA-N	1	1	569.640	2.403	1	30		KEEFMO
N#CNC(=N)NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5	ZINC000026665826	561811143	/nfs/dbraw/zinc/81/11/43/561811143.db2.gz	UADYBTCIZNQDKB-KFDULEKRSA-N	1	1	510.598	2.458	1	30		KEEFMO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CCCCC1	ZINC000026997556	561833530	/nfs/dbraw/zinc/83/35/30/561833530.db2.gz	PQMJEFKQZRCOBY-FMVCKAMOSA-N	1	1	617.795	2.037	1	30		KEEFMO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC3=NC(NC(=[NH2+])N4CCC4)=NC3=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	ZINC000027216563	561848510	/nfs/dbraw/zinc/84/85/10/561848510.db2.gz	UXOVJSZDEICRBM-ZOMYCCNSSA-N	1	1	651.765	2.024	1	30		KEEFMO
C=C(COc1ccc2c3c1O[C@H]1[C@H](OCC(=C)C(=O)OC)CC[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314)C(=O)OC	ZINC000027524097	561865409	/nfs/dbraw/zinc/86/54/09/561865409.db2.gz	GVEQIUQAUJPICN-LPBXJGNBSA-N	1	1	539.625	2.473	1	30		KEEFMO
CCN(CC[NH+](C)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	ZINC000029134221	562003964	/nfs/dbraw/zinc/00/39/64/562003964.db2.gz	KPOSRIIDGPWYJV-DATHZOKXSA-N	1	1	546.661	2.136	1	30		KEEFMO
COC[C@H]1OC(=O)C(C[NH+]2CCCC2)=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@]21C	ZINC000029134626	562004234	/nfs/dbraw/zinc/00/42/34/562004234.db2.gz	OKPJBIIWOHCTOK-DROVPKGLSA-N	1	1	501.576	2.348	1	30		KEEFMO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C([C@H]3CC[NH2+]3)=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	ZINC000043061473	562645217	/nfs/dbraw/zinc/64/52/17/562645217.db2.gz	DCQPVQNXGGXXQQ-RLKBMGNLSA-N	1	1	585.698	2.166	1	30		KEEFMO
CCC(=O)OCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)O2)nn1	ZINC000044431310	562657841	/nfs/dbraw/zinc/65/78/41/562657841.db2.gz	SGHHVUAHUCGMQS-VPTPGNQDSA-N	1	1	515.655	2.041	1	30		KEEFMO
CCC(=O)OCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)O2)nn1	ZINC000044431313	562657858	/nfs/dbraw/zinc/65/78/58/562657858.db2.gz	SGHHVUAHUCGMQS-SPCXXQJASA-N	1	1	515.655	2.041	1	30		KEEFMO
N#CNC(=NCCCCCCCCN=C(NC#N)NCCSCc1csc(NC(N)=[NH2+])n1)NCCCSc1csc(NC(=N)N)n1	ZINC000049605281	562665633	/nfs/dbraw/zinc/66/56/33/562665633.db2.gz	RBTQTPGWYRXNLO-UHFFFAOYSA-N	1	1	707.002	2.198	1	30		KEEFMO
O=C(NO)C1(S(=O)(=O)c2ccc(N3CCC(C(=O)N4CC[NH+](CCc5ccccc5)CC4)CC3)cc2)CCOCC1	ZINC000049777357	562679927	/nfs/dbraw/zinc/67/99/27/562679927.db2.gz	QJQSFVGRKOULTN-UHFFFAOYSA-N	1	1	584.739	2.118	1	30		KEEFMO
C#CC[N@H+](CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H]2OC(C)(C)O[C@H]12	ZINC000049785937	562684185	/nfs/dbraw/zinc/68/41/85/562684185.db2.gz	BGKWNACYCQMLGB-XCPBYIKRSA-N	1	1	601.705	2.386	1	30		KEEFMO
C#CC[N@@H+](CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H]2OC(C)(C)O[C@H]12	ZINC000049785937	562684184	/nfs/dbraw/zinc/68/41/84/562684184.db2.gz	BGKWNACYCQMLGB-XCPBYIKRSA-N	1	1	601.705	2.386	1	30		KEEFMO
C#C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3nc(N4CC[NH+](C)CC4)sc3F)cc2)[C@@H]2C(=O)CO[C@H]12	ZINC000068204723	562715971	/nfs/dbraw/zinc/71/59/71/562715971.db2.gz	HUMYXJUMFCJTGM-KWACHACRSA-N	1	1	567.687	2.274	1	30		KEEFMO
C#C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3csc(N4CC[NH+](C)CC4)n3)c(F)c2)[C@@H]2C(=O)CO[C@H]12	ZINC000068204727	562715973	/nfs/dbraw/zinc/71/59/73/562715973.db2.gz	RFCUHPQJTGIXFS-GTKJVGNCSA-N	1	1	567.687	2.274	1	30		KEEFMO
C#C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3csc(N4CC[NH+](C)CC4)n3)cc2)[C@@H]2C(=O)CO[C@H]12	ZINC000068204731	562715997	/nfs/dbraw/zinc/71/59/97/562715997.db2.gz	FIJFMUKDMVGIOK-ZRYIBQHNSA-N	1	1	549.697	2.135	1	30		KEEFMO
C#C[C@@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(-c3nc(N4CC[NH+](C)CC4)sc3F)cc2)C2CCCC2)[C@@H]2C(=O)CO[C@H]12	ZINC000068204734	562715983	/nfs/dbraw/zinc/71/59/83/562715983.db2.gz	DEMUCOOCKQGXOE-SXEIHZRZSA-N	1	1	579.698	2.418	1	30		KEEFMO
O=C1c2[nH]cc3c2C(=[NH+]CC3)C2=C1NCC[C@]1([N+](=O)[O-])C=C(Br)C(=O)C(Br)=C21	ZINC000073373258	562738456	/nfs/dbraw/zinc/73/84/56/562738456.db2.gz	IZWVESLZBXMYDV-SFHVURJKSA-N	1	1	508.126	2.330	1	30		KEEFMO
C[NH+]1CCN(C(=O)CCc2ccc(S(=O)(=O)n3c4ccccc4cc3C3(O)C=CC(=O)C=C3)cc2)CC1	ZINC000082152680	562740086	/nfs/dbraw/zinc/74/00/86/562740086.db2.gz	PFFANAFISOEADU-UHFFFAOYSA-N	1	1	519.623	2.468	1	30		KEEFMO
Nc1nc(N)[nH+]c(NCCCOC(=O)CCc2ccc(S(=O)(=O)n3c(C4(O)C=CC(=O)C=C4)cc4ccccc43)cc2)n1	ZINC000082152730	562740126	/nfs/dbraw/zinc/74/01/26/562740126.db2.gz	JUBXAAPXSNLPJO-UHFFFAOYSA-N	1	1	603.661	2.088	1	30		KEEFMO
NC(N)=NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(=O)(=O)N=C(N)N)cc4)c4ccccc4[nH+]c23)cc1	ZINC000082171129	562741556	/nfs/dbraw/zinc/74/15/56/562741556.db2.gz	DEBXZHWGHCFIKI-UHFFFAOYSA-N	1	1	631.700	2.308	1	30		KEEFMO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CCCCC1	ZINC000084521246	562743217	/nfs/dbraw/zinc/74/32/17/562743217.db2.gz	PQMJEFKQZRCOBY-HEWUYBSCSA-N	1	1	617.795	2.037	1	30		KEEFMO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CCCCC1	ZINC000084521247	562743213	/nfs/dbraw/zinc/74/32/13/562743213.db2.gz	PQMJEFKQZRCOBY-NCZODNFJSA-N	1	1	617.795	2.037	1	30		KEEFMO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CCCCC1	ZINC000084521248	562743253	/nfs/dbraw/zinc/74/32/53/562743253.db2.gz	PQMJEFKQZRCOBY-UFRMOSHKSA-N	1	1	617.795	2.037	1	30		KEEFMO
C[C@@H]1[NH2+][C@H](C2CCC([C@@H]3C#CC[C@@H]4C[C@@](C)(CCN4)[NH2+]C[C@](O)(CC(=O)[O-])CC[C@H](CO)C3)CC2)CC[C@H]1O	ZINC000085487992	291747553	/nfs/dbraw/zinc/74/75/53/291747553.db2.gz	FJUBQRZWIZPFKT-RVQBOVAWSA-N	1	1	547.781	2.402	1	30	biogenic,in-vitro	KEEFMO
C[C@H]1[C@H](O)CC[C@H]2C[C@@H](CC[C@H]3C#CC[C@@H]4C[C@](C)(CCN4)[NH2+]C[C@](O)(CC(=O)[O-])CC[C@H](CO)C3)CC[N@@H+]12	ZINC000085488031	560075845	/nfs/dbraw/zinc/07/58/45/560075845.db2.gz	OBCAXVHZOCWMOQ-IYHKDOSGSA-N	1	1	547.781	2.499	1	30	biogenic,in-vitro	KEEFMO
C[C@H]1[C@H](O)CC[C@H]2C[C@@H](CC[C@H]3C#CC[C@@H]4C[C@](C)(CCN4)[NH2+]C[C@](O)(CC(=O)[O-])CC[C@H](CO)C3)CC[N@H+]12	ZINC000085488031	560075844	/nfs/dbraw/zinc/07/58/44/560075844.db2.gz	OBCAXVHZOCWMOQ-IYHKDOSGSA-N	1	1	547.781	2.499	1	30	biogenic,in-vitro	KEEFMO
C[C@@H]1[NH2+][C@H](CCCC[C@@H]2C#CC[C@@H]3C[C@@](C)(CCN3)[NH2+]C[C@](O)(CC(=O)[O-])[C@H]3C=C[C@H](O)[C@H](C3)C2)CC[C@H]1O	ZINC000085488045	560075951	/nfs/dbraw/zinc/07/59/51/560075951.db2.gz	TUPLZZUPEZSIMC-MWYUULBMSA-N	1	1	545.765	2.321	1	30	biogenic,in-vitro	KEEFMO
C[C@@H]1[NH2+][C@H](CCCC[C@H]2C#CC[C@@H]3C[C@](C)(CCN3)[NH2+]C[C@](O)(CC(=O)[O-])CC[C@H](CO)C2)CC[C@H]1O	ZINC000085488061	560075915	/nfs/dbraw/zinc/07/59/15/560075915.db2.gz	ODCKBMLVHNWLFD-HBRSXVCJSA-N	1	1	521.743	2.156	1	30	biogenic,in-vitro	KEEFMO
Cc1nc(N)sc1CCCNC(N)=NC(=O)CCCCCCCCC(=O)N=C(N)NCCCc1c[nH+]c[nH]1	ZINC000095553914	562761119	/nfs/dbraw/zinc/76/11/19/562761119.db2.gz	QWDSWUASBPMPBR-UHFFFAOYSA-N	1	1	546.746	2.305	1	30		KEEFMO
COCC#Cc1ccc2c(c1)O[C@H](C[N@@H+](C)Cc1ccc3c(c1)OCO3)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O	ZINC000095599206	562777865	/nfs/dbraw/zinc/77/78/65/562777865.db2.gz	RYIFWOIJOZENBD-CUVVAGTFSA-N	1	1	530.643	2.314	1	30		KEEFMO
C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O	ZINC000095600321	562778798	/nfs/dbraw/zinc/77/87/98/562778798.db2.gz	OJORFHMACFRWQB-NOMHHCBYSA-N	1	1	543.686	2.229	1	30		KEEFMO
C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O	ZINC000095600321	562778797	/nfs/dbraw/zinc/77/87/97/562778797.db2.gz	OJORFHMACFRWQB-NOMHHCBYSA-N	1	1	543.686	2.229	1	30		KEEFMO
C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O	ZINC000095604610	562781109	/nfs/dbraw/zinc/78/11/09/562781109.db2.gz	OJORFHMACFRWQB-PBDKAQRYSA-N	1	1	543.686	2.229	1	30		KEEFMO
C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O	ZINC000095604610	562781108	/nfs/dbraw/zinc/78/11/08/562781108.db2.gz	OJORFHMACFRWQB-PBDKAQRYSA-N	1	1	543.686	2.229	1	30		KEEFMO
CCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000095606706	562782341	/nfs/dbraw/zinc/78/23/41/562782341.db2.gz	UHJKAYUBNMRGHO-KMSCUOMXSA-N	1	1	783.979	2.148	1	30		KEEFMO
C[N@H+]1CC[C@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)C1	ZINC000096176131	562792067	/nfs/dbraw/zinc/79/20/67/562792067.db2.gz	BTTZMTXDGNOSAF-FQEVSTJZSA-N	1	1	529.551	2.411	1	30		KEEFMO
C[NH+]1CC(Nc2ncnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc32)C1	ZINC000096176259	562792310	/nfs/dbraw/zinc/79/23/10/562792310.db2.gz	YXDAHVKJOFQJQJ-UHFFFAOYSA-N	1	1	515.524	2.020	1	30		KEEFMO
C[N@H+]1CC[C@@H](NC(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)C1	ZINC000096176341	562792388	/nfs/dbraw/zinc/79/23/88/562792388.db2.gz	QOQJFNLFVHFFBG-HSZRJFAPSA-N	1	1	556.573	2.333	1	30		KEEFMO
CC(=O)NCCC(=O)NCCC[N@H+](C)CCCNC(=S)NCCSCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	ZINC000096307577	562796356	/nfs/dbraw/zinc/79/63/56/562796356.db2.gz	XGIUJUFWLVQALN-ZWCOQVFASA-N	1	1	752.032	2.455	1	30		KEEFMO
COC[C@H]1OC(=O)C(C[N@@H+](CCO)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	ZINC000101158209	562809561	/nfs/dbraw/zinc/80/95/61/562809561.db2.gz	GLCMDXVOFNDXMC-DISLKRJHSA-N	1	1	547.645	2.345	1	30		KEEFMO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C([C@@H]3CC[NH2+]3)=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	ZINC000101801892	562812166	/nfs/dbraw/zinc/81/21/66/562812166.db2.gz	DCQPVQNXGGXXQQ-FKROHELKSA-N	1	1	585.698	2.166	1	30		KEEFMO
CCN1C(=O)[C@H]2CC[C@H]3/C(=N\O[C@@H](C)CN4CCCCc5[nH+]c(C)c(C)cc54)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O	ZINC000102470546	562813242	/nfs/dbraw/zinc/81/32/42/562813242.db2.gz	VMDLNEQDTUFKME-MDSBQSLOSA-N	1	1	512.651	2.375	1	30		KEEFMO
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(CN4CCN(c5cc[nH+]cc5)CC4)cc3)NC(=O)NC1=O)C2	ZINC000143350654	562834932	/nfs/dbraw/zinc/83/49/32/562834932.db2.gz	WOLQHVZEGNOPMB-WJOKGBTCSA-N	1	1	568.609	2.137	1	30		KEEFMO
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C[NH+]4CCN(c5nccs5)CC4)cc3)NC(=O)NC1=O)C2	ZINC000143350905	562834934	/nfs/dbraw/zinc/83/49/34/562834934.db2.gz	DKNBENRYRTUHRN-GDLZYMKVSA-N	1	1	556.648	2.060	1	30		KEEFMO
C[N@H+]1CC[C@@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)C1	ZINC000144970481	562836759	/nfs/dbraw/zinc/83/67/59/562836759.db2.gz	BTTZMTXDGNOSAF-HXUWFJFHSA-N	1	1	529.551	2.411	1	30		KEEFMO
C[N@H+]1CC[C@H](NC(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)C1	ZINC000144984046	562836798	/nfs/dbraw/zinc/83/67/98/562836798.db2.gz	QOQJFNLFVHFFBG-QHCPKHFHSA-N	1	1	556.573	2.333	1	30		KEEFMO
C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6c[nH]c(=O)[nH]c6=O)cc5)c(O)c4[C@@]2(CC[N@@H+]3C)C1	ZINC000148041666	562839979	/nfs/dbraw/zinc/83/99/79/562839979.db2.gz	PBXQPVQDVLHYHN-RYHYHUEASA-N	1	1	542.636	2.378	1	30		KEEFMO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCC[NH+]3CCCC3)=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	ZINC000150344340	562843172	/nfs/dbraw/zinc/84/31/72/562843172.db2.gz	MNMYYWFEPBLDKF-JEVRCCDFSA-N	1	1	642.794	2.447	1	30	in-vitro	KEEFMO
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]([NH2+]CCF)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000150555006	562844707	/nfs/dbraw/zinc/84/47/07/562844707.db2.gz	ZJWNUCATNSNXAC-MMZLNOGSSA-N	1	1	661.816	2.480	1	30		KEEFMO
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](O)[C@@H](C)/C=C(\C)[C@@H]1OC(=O)NCC[NH+](C)C)C2=O	ZINC000150565529	562844973	/nfs/dbraw/zinc/84/49/73/562844973.db2.gz	SCGLFWNMEUVZSE-GSDOEUIWSA-N	1	1	687.879	2.106	1	30		KEEFMO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(N[C@@H]3C[NH+]4CCC3CC4)=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	ZINC000150583053	562845645	/nfs/dbraw/zinc/84/56/45/562845645.db2.gz	PBPGJNVHLVPHTL-ZJODEFENSA-N	1	1	654.805	2.446	1	30		KEEFMO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(N[C@H]3C[NH+]4CCC3CC4)=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	ZINC000150583055	562845652	/nfs/dbraw/zinc/84/56/52/562845652.db2.gz	PBPGJNVHLVPHTL-NWVXVQMKSA-N	1	1	654.805	2.446	1	30		KEEFMO
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]([NH2+]CCN(C)C)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000150606023	562847825	/nfs/dbraw/zinc/84/78/25/562847825.db2.gz	QZMMCMVHGLOERF-BLIXHKEPSA-N	1	1	686.895	2.072	1	30		KEEFMO
C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](OC(=O)C[NH3+])[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	ZINC000150607877	562848146	/nfs/dbraw/zinc/84/81/46/562848146.db2.gz	ZFBCWWKALCIUTI-OCJCMWQISA-N	1	1	642.750	2.047	1	30		KEEFMO
C=CCNC1=C2C[C@@H](C)C[C@@H](OC)[C@H](OC(=O)C[NH3+])[C@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O	ZINC000150623073	562848912	/nfs/dbraw/zinc/84/89/12/562848912.db2.gz	ZFBCWWKALCIUTI-DLZUGVEQSA-N	1	1	642.750	2.047	1	30		KEEFMO
CCc1ncnc(-c2ccc(C(=O)NC3CC([NH+]4CCN(O)CC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1	ZINC000167356433	562850748	/nfs/dbraw/zinc/85/07/48/562850748.db2.gz	GDDWNPOHSCSVOO-UHFFFAOYSA-N	1	1	515.593	2.490	1	30		KEEFMO
CCN1CC[NH+]([C@@H](C)c2ccc(C#C[C@]3(CN4Cc5ccc(OC)c(F)c5C4=O)NC(=O)NC3=O)cc2)CC1	ZINC000167611127	562851021	/nfs/dbraw/zinc/85/10/21/562851021.db2.gz	CXXGOKXVDBAGFV-ADXZGYQBSA-N	1	1	533.604	2.119	1	30		KEEFMO
CCN1CC[NH+]([C@H](C)c2ccc(C#C[C@]3(CN4Cc5ccc(OC)c(F)c5C4=O)NC(=O)NC3=O)cc2)CC1	ZINC000167611228	562851007	/nfs/dbraw/zinc/85/10/07/562851007.db2.gz	CXXGOKXVDBAGFV-SONOPUAISA-N	1	1	533.604	2.119	1	30		KEEFMO
C[NH+]1CCN(c2cc(N3CCC[C@@H](C(=O)NCCc4ccc(C#N)nc4)C3)nc(C(F)(F)F)n2)CC1	ZINC000169310237	562854762	/nfs/dbraw/zinc/85/47/62/562854762.db2.gz	MKHYOYUIGKEBPI-GOSISDBHSA-N	1	1	502.545	2.089	1	30		KEEFMO
CC(C)(C)C(=O)ON[C@@H](CCSC[C@H]1O[C@@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O)C(=O)OCC[Si](C)(C)C	ZINC000195403071	562871806	/nfs/dbraw/zinc/87/18/06/562871806.db2.gz	PZOJUCAZVZZRGX-CPYOPQHUSA-N	1	1	583.784	2.100	1	30		KEEFMO
CC(C)(C)C(=O)ON[C@H](CCSC[C@H]1O[C@@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O)C(=O)OCC[Si](C)(C)C	ZINC000195403077	562871804	/nfs/dbraw/zinc/87/18/04/562871804.db2.gz	PZOJUCAZVZZRGX-ACMVSEJYSA-N	1	1	583.784	2.100	1	30		KEEFMO
CC(C)(C)C(=O)ON[C@@H](CCSC[C@H]1O[C@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O)C(=O)OCC[Si](C)(C)C	ZINC000195403086	562871787	/nfs/dbraw/zinc/87/17/87/562871787.db2.gz	PZOJUCAZVZZRGX-OPKIRLMFSA-N	1	1	583.784	2.100	1	30		KEEFMO
CC(C)(C)C(=O)ON[C@H](CCSC[C@H]1O[C@H](n2ccc3c2nc[nH+]c3N)[C@H](O)[C@@H]1O)C(=O)OCC[Si](C)(C)C	ZINC000195403094	562871741	/nfs/dbraw/zinc/87/17/41/562871741.db2.gz	PZOJUCAZVZZRGX-UGVAJALESA-N	1	1	583.784	2.100	1	30		KEEFMO
C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)N(C)CC(=O)N5CC[NH+](C)CC5)cn(C)c43)C[C@@H]2N1C(=O)NCc1ccccc1	ZINC000217551989	562877577	/nfs/dbraw/zinc/87/75/77/562877577.db2.gz	GTMVVLWZHLESSJ-BCRBLDSWSA-N	1	1	789.938	2.467	1	30		KEEFMO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)c1nc2ccccc2s1	ZINC000299837918	562887680	/nfs/dbraw/zinc/88/76/80/562887680.db2.gz	PPZMTPFBZSVVTC-JSRHHAARSA-N	1	1	743.916	2.126	1	30		KEEFMO
N#Cc1c(C[NH2+]C23CCC(C[C@]4(O)Cn5c6c4c(F)cnc6ccc5=O)(CC2)OC3)ncc2c1OCCO2	ZINC000299851824	562890821	/nfs/dbraw/zinc/89/08/21/562890821.db2.gz	KGEFQILOVGDHLC-RCSZBHJWSA-N	1	1	519.533	2.036	1	30		KEEFMO
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(=NCC[NH+](C)C)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	ZINC000299854098	562891293	/nfs/dbraw/zinc/89/12/93/562891293.db2.gz	UFHFXFGYYAHGIY-OKSFYDSZSA-N	1	1	614.740	2.394	1	30		KEEFMO
C=C1C[C@]23C[C@H](OC(C)=O)[C@@]4(O)[C@]56C[C@@H](O)C[C@@]4(C)C[N@H+](C)[C@@H]5[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](OC(=O)/C(C)=C/CO)[C@H]36	ZINC000653707857	562907930	/nfs/dbraw/zinc/90/79/30/562907930.db2.gz	ZMDMLWZBERFJAM-PMJYTZRKSA-N	1	1	599.721	2.065	1	30		KEEFMO
C=C1C[C@]23C[C@H](OC(C)=O)[C@@]4(O)[C@]56C[C@@H](O)C[C@@]4(C)C[N@H+](C)[C@H]5[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](OC(=O)/C(C)=C/CO)[C@H]36	ZINC000653707858	562907915	/nfs/dbraw/zinc/90/79/15/562907915.db2.gz	ZMDMLWZBERFJAM-SWVOMIFPSA-N	1	1	599.721	2.065	1	30		KEEFMO
CCCCCCCC[C@H](O)C[N@@H+](CCO)C[C@@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714201	562908337	/nfs/dbraw/zinc/90/83/37/562908337.db2.gz	SJWZVFDMXOXIKK-CGJHZZFZSA-N	1	1	533.703	2.166	1	30		KEEFMO
CCCCCCCC[C@@H](O)C[N@@H+](CCO)C[C@@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714202	562908364	/nfs/dbraw/zinc/90/83/64/562908364.db2.gz	SJWZVFDMXOXIKK-SAQQLHGMSA-N	1	1	533.703	2.166	1	30		KEEFMO
CCCCCCCC[C@H](O)C[N@@H+](CCO)C[C@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714203	562908354	/nfs/dbraw/zinc/90/83/54/562908354.db2.gz	SJWZVFDMXOXIKK-YCHLROQCSA-N	1	1	533.703	2.166	1	30		KEEFMO
CCCCCCCC[C@@H](O)C[N@@H+](CCO)C[C@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714204	562908332	/nfs/dbraw/zinc/90/83/32/562908332.db2.gz	SJWZVFDMXOXIKK-ZOECEDPBSA-N	1	1	533.703	2.166	1	30		KEEFMO
C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ncc(C#CCN(C)C)cc2C1=O	ZINC000061922327	562703354	/nfs/dbraw/zinc/70/33/54/562703354.db2.gz	BVQTVABWCISGQV-GOHWNWGWSA-N	1	1	508.619	2.076	3	30		KEEFMO
C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ncc(C#CCN(C)C)cc2C1=O	ZINC000061922327	562703353	/nfs/dbraw/zinc/70/33/53/562703353.db2.gz	BVQTVABWCISGQV-GOHWNWGWSA-N	1	1	508.619	2.076	3	30		KEEFMO