smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(c3c(F)cc4c(=O)c(C(=O)[O-])cn(C5CC5)c4c3OC(F)F)CC2)cc1	ZINC000003798721	561682485	/nfs/dbraw/zinc/68/24/85/561682485.db2.gz	CRORBSWXOVTRND-UHFFFAOYSA-N	-1	0	503.477	4.110	1	10		KICFRM
COc1cc(/C=C2\N=C(c3ccccc3)N(c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)C2=O)ccc1O	ZINC000005579705	561696957	/nfs/dbraw/zinc/69/69/57/561696957.db2.gz	OVFDDSJNXMSNMR-QNGOZBTKSA-N	-1	0	532.603	4.493	1	10		KICFRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCO)cccc43)cc2)n1	ZINC000005729430	561697755	/nfs/dbraw/zinc/69/77/55/561697755.db2.gz	FGLYLAFLVHXJAK-UHFFFAOYSA-N	-1	0	542.621	4.061	1	10		KICFRM
COc1ccc([C@@]2(Cc3ccncc3)C(=O)c3ccc(OCC(=O)[O-])cc3C2=O)cc1OC1CCCC1	ZINC000013781566	561729437	/nfs/dbraw/zinc/72/94/37/561729437.db2.gz	DVMORVQXBHZLCK-LJAQVGFWSA-N	-1	0	501.535	4.435	1	10		KICFRM
COc1ccc([C@]2(Cc3ccncc3)C(=O)c3ccc(OCC(=O)[O-])cc3C2=O)cc1OC1CCCC1	ZINC000013781567	561729482	/nfs/dbraw/zinc/72/94/82/561729482.db2.gz	DVMORVQXBHZLCK-GDLZYMKVSA-N	-1	0	501.535	4.435	1	10		KICFRM
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(=O)[O-])C(=O)NCCc1ccc(N)cc1	ZINC000027109902	561841235	/nfs/dbraw/zinc/84/12/35/561841235.db2.gz	XEZVWOSOTRDWNF-GVBYMILNSA-N	-1	0	734.854	4.385	1	10		KICFRM
Cc1sc(N2CCN(S(C)(=O)=O)CC2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000027557389	561869862	/nfs/dbraw/zinc/86/98/62/561869862.db2.gz	AVAFNNKIIKKSIQ-PMERELPUSA-N	-1	0	648.807	4.493	1	10		KICFRM
NC(=O)[C@@H](Oc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCCc1ccccc1)c1ccccc1	ZINC000028370120	561918189	/nfs/dbraw/zinc/91/81/89/561918189.db2.gz	HKHUWGLIDRHQCR-ZDQFFALBSA-N	-1	0	548.642	4.199	1	10		KICFRM
NC(=O)[C@H](Oc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCCc1ccccc1)c1ccccc1	ZINC000028370126	561918193	/nfs/dbraw/zinc/91/81/93/561918193.db2.gz	HKHUWGLIDRHQCR-QKSFETHESA-N	-1	0	548.642	4.199	1	10		KICFRM
CCOc1ccc(S(=O)(=O)N(CC(=O)N=NC2C(=O)Nc3ccc(S(=O)(=O)[O-])cc32)c2ccc(C)cc2)cc1	ZINC000028563015	561935431	/nfs/dbraw/zinc/93/54/31/561935431.db2.gz	TVYKZKRSYDWJQH-BYYHNAKLSA-N	-1	0	572.621	4.333	1	10		KICFRM
O=C1/C(=C/c2ccc(Br)c(Br)c2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1	ZINC000028569155	561937775	/nfs/dbraw/zinc/93/77/75/561937775.db2.gz	NACVLMCELLJDQF-ZROIWOOFSA-N	-1	0	534.276	4.306	1	10		KICFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)[O-])Cc1cc(C(C)(C)C)cc(I)c1O	ZINC000029390465	562017259	/nfs/dbraw/zinc/01/72/59/562017259.db2.gz	MAIREGFJUSOUPB-MBSDFSHPSA-N	-1	0	624.516	4.250	1	10		KICFRM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccc(S(C)(=O)=O)nc2)cc1	ZINC000034177538	562038388	/nfs/dbraw/zinc/03/83/88/562038388.db2.gz	PLPNMCHGFSQPKI-UHFFFAOYSA-N	-1	0	507.033	4.468	1	10		KICFRM
O=C(Nc1ccc(C(=O)N2CCCCC2)c([N-]S(=O)(=O)c2cccc3nsnc32)c1)c1ccccc1	ZINC000035065170	562044526	/nfs/dbraw/zinc/04/45/26/562044526.db2.gz	JFNYKMCSJURZAO-UHFFFAOYSA-N	-1	0	521.624	4.371	1	10		KICFRM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccnc(S(C)(=O)=O)c2)cc1	ZINC000036414672	562060596	/nfs/dbraw/zinc/06/05/96/562060596.db2.gz	SFEITTVAHPCONL-UHFFFAOYSA-N	-1	0	507.033	4.468	1	10		KICFRM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2C(=O)c2ccncc2)cc1	ZINC000038662933	562072310	/nfs/dbraw/zinc/07/23/10/562072310.db2.gz	YIWBFVJIIDYUAN-UHFFFAOYSA-N	-1	0	527.668	4.195	1	10		KICFRM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000043121126	562646139	/nfs/dbraw/zinc/64/61/39/562646139.db2.gz	FPTSGAAACQGSOW-SFHVURJKSA-N	-1	0	549.532	4.324	1	10		KICFRM
CCCn1ncc2cc3c(c([O-])c2c1=O)-c1c(O)c2c(c(OC)c1CC3)C(=O)c1c(cc(OC(=O)OC)c(C)c1OC(C)=O)C2=O	ZINC000049639496	562667760	/nfs/dbraw/zinc/66/77/60/562667760.db2.gz	FFYJVMIRATVHII-UHFFFAOYSA-N	-1	0	628.590	4.146	1	10		KICFRM
O=C(NCCc1ccccc1)c1ccc(Br)cc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000049670020	562668200	/nfs/dbraw/zinc/66/82/00/562668200.db2.gz	UVJHYTZJBKTBPU-UHFFFAOYSA-N	-1	0	517.430	4.227	1	10		KICFRM
Cc1cc([N-]S(=O)(=O)c2ccc(NC3=N[C@@H](c4ccc(O)cc4O)C(C(=O)Nc4cccc([N+](=O)[O-])c4)=C(C)N3)cc2)no1	ZINC000049769625	562677853	/nfs/dbraw/zinc/67/78/53/562677853.db2.gz	XRHFLWICCHJVKH-SANMLTNESA-N	-1	0	619.616	4.128	1	10		KICFRM
Cc1cc([N-]S(=O)(=O)c2ccc(NC3=N[C@H](c4ccc(O)cc4O)C(C(=O)Nc4cccc([N+](=O)[O-])c4)=C(C)N3)cc2)no1	ZINC000049769627	562677851	/nfs/dbraw/zinc/67/78/51/562677851.db2.gz	XRHFLWICCHJVKH-AREMUKBSSA-N	-1	0	619.616	4.128	1	10		KICFRM
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c2c1C(=O)c1ccccc1C2=O	ZINC000049888706	562691400	/nfs/dbraw/zinc/69/14/00/562691400.db2.gz	UIPXJMQJSGBYIZ-UHFFFAOYSA-N	-1	0	557.375	4.270	1	10		KICFRM
CCOC(=O)c1c(C[S@@](=O)c2ccc(F)cc2)n(C)c2cc(Br)c([O-])c(CN3CCOCC3)c21	ZINC000059422477	562702013	/nfs/dbraw/zinc/70/20/13/562702013.db2.gz	VURUCJGJGLZSIP-UMSFTDKQSA-N	-1	0	553.450	4.102	1	10		KICFRM
CCOC(=O)c1c(C[S@](=O)c2ccc(F)cc2)n(C)c2cc(Br)c([O-])c(CN3CCOCC3)c21	ZINC000059422478	562702036	/nfs/dbraw/zinc/70/20/36/562702036.db2.gz	VURUCJGJGLZSIP-UUWRZZSWSA-N	-1	0	553.450	4.102	1	10		KICFRM
Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O	ZINC000066076201	562710079	/nfs/dbraw/zinc/71/00/79/562710079.db2.gz	BLCUJFVIEUPNOP-UHFFFAOYSA-N	-1	0	557.375	4.270	1	10	in-vitro	KICFRM
Cc1c2cc3c(cc2oc1C(=O)c1ccc(Br)cc1)occ(C=C1C(=O)[N-]C(=O)NC1=O)c3=O	ZINC000069062025	562716316	/nfs/dbraw/zinc/71/63/16/562716316.db2.gz	LOPWCJDPSTWZAD-UHFFFAOYSA-N	-1	0	521.279	4.431	1	10		KICFRM
CC[NH+](CC)Cc1cc(C(=O)Nc2c([O-])c3ccc(O[C@@H]4OC(C)(C)[C@H](OC)[C@@H](OC(N)=O)[C@H]4O)c(C)c3oc2=O)cc(CC=C(C)C)c1[O-]	ZINC000072124853	562725094	/nfs/dbraw/zinc/72/50/94/562725094.db2.gz	HBNUKMHNLMOGPD-KGXZHFCSSA-N	-1	0	697.782	4.469	1	10		KICFRM
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c([O-])c(C[NH+]5CCCC5)c4)c(=O)oc3c2C)OC1(C)C	ZINC000072125751	562725204	/nfs/dbraw/zinc/72/52/04/562725204.db2.gz	PWKSZEUIJZDUKO-KGXZHFCSSA-N	-1	0	695.766	4.223	1	10		KICFRM
O=C([O-])CN1C(=O)/C(=C/c2c(-c3ccc(Cl)cc3)nc3sc(C(F)(F)F)nn23)SC1=S	ZINC000073297639	562737782	/nfs/dbraw/zinc/73/77/82/562737782.db2.gz	GJQIKHBLCRHMKB-YHYXMXQVSA-N	-1	0	504.924	4.416	1	10		KICFRM
NS(=O)(=O)c1ccc([N-][NH+]=c2c3ccccc3[nH]c3c(C(=O)Nc4ccc(S(=O)(=O)[N-]c5ncccn5)cc4)cccc32)cc1	ZINC000082190866	562742625	/nfs/dbraw/zinc/74/26/25/562742625.db2.gz	RDLRTYNDVNFVKL-UHFFFAOYSA-N	-1	0	640.707	4.318	1	10		KICFRM
CCCCOC(=O)[C@H]1c2c(c(O)ccc2/C=C/C(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)[O-])O[C@@H]1c1ccc(O)c(O)c1	ZINC000084652854	562746715	/nfs/dbraw/zinc/74/67/15/562746715.db2.gz	QWHMMEKTFNJGTI-GNBMGSNXSA-N	-1	0	594.569	4.028	1	10		KICFRM
O=C1N=C(NCCN2CCN(CCNC3=NC(=O)C(=Cc4cc(Br)c([O-])c(Br)c4)S3)CC2)SC1=Cc1ccc(O)cc1	ZINC000095557826	562762205	/nfs/dbraw/zinc/76/22/05/562762205.db2.gz	XXARKEQGQPISHL-OZKZUFLSSA-N	-1	0	736.512	4.060	1	10		KICFRM
Nc1ccc(Oc2ccc(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)cc2)cc1	ZINC000095586918	562774177	/nfs/dbraw/zinc/77/41/77/562774177.db2.gz	HGTFAUPCSQPXAW-UHFFFAOYSA-N	-1	0	501.520	4.409	1	10		KICFRM
Nc1ccc(CCc2ccc(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)cc2)cc1	ZINC000095592845	562776071	/nfs/dbraw/zinc/77/60/71/562776071.db2.gz	YNBNFXGSNGMHFU-UHFFFAOYSA-N	-1	0	513.575	4.402	1	10		KICFRM
CC(C)(C)OC(=O)NCCCn1c2c(c3ccc(NC(=O)CCCC(=O)[O-])cc3c1=O)C(=O)c1ccccc1-2	ZINC000095596507	562776985	/nfs/dbraw/zinc/77/69/85/562776985.db2.gz	XLHOJFFGOALGSX-UHFFFAOYSA-N	-1	0	533.581	4.321	1	10		KICFRM
CC(C)OC(=O)OCOc1cc(=O)c2c([O-])c(OCOC(=O)OC(C)C)c(-c3ccc(O)c(O)c3)oc-2c1	ZINC000096906478	562798777	/nfs/dbraw/zinc/79/87/77/562798777.db2.gz	MOWGXUNDYZPGPK-UHFFFAOYSA-N	-1	0	534.470	4.373	1	10		KICFRM
COC(=O)CCCCCCCCC(=O)Oc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000096934532	562803897	/nfs/dbraw/zinc/80/38/97/562803897.db2.gz	AWHLGRBJOAXQRL-UHFFFAOYSA-N	-1	0	500.500	4.482	1	10		KICFRM
CCC(CC)C(=O)Nc1cc(NC(=O)[C@H](CC(C)C)NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1OCC(=O)[O-]	ZINC000098065458	562805151	/nfs/dbraw/zinc/80/51/51/562805151.db2.gz	OFXATWFWANHIMB-UBQCRTFRSA-N	-1	0	555.628	4.119	1	10		KICFRM
CS(=O)(=O)[N-]c1sc2c(c1C(=O)NN1C(=O)CS[C@H]1c1cc3ccccc3nc1Cl)CCCC2	ZINC000098082491	562805283	/nfs/dbraw/zinc/80/52/83/562805283.db2.gz	DTTPPMUZCCGFIW-QFIPXVFZSA-N	-1	0	537.088	4.119	1	10		KICFRM
CS(=O)(=O)[N-]c1sc2c(c1C(=O)NN1C(=O)CS[C@@H]1c1cc3ccccc3nc1Cl)CCCC2	ZINC000098082492	562805279	/nfs/dbraw/zinc/80/52/79/562805279.db2.gz	DTTPPMUZCCGFIW-JOCHJYFZSA-N	-1	0	537.088	4.119	1	10		KICFRM
Nc1ccc(Cn2c(=O)c(C(=O)NCc3ccc(F)cc3)c([O-])c3ncc(Cc4ccccc4)cc32)cc1	ZINC000102897732	562813475	/nfs/dbraw/zinc/81/34/75/562813475.db2.gz	XHZSRUHIOFWCEL-UHFFFAOYSA-N	-1	0	508.553	4.393	1	10		KICFRM
CCOc1ccc2nc(NC(=O)C(O)=C3C(=O)C(CC4C(=O)c5ccccc5C4=O)=C([O-])CC3(C)C)sc2c1	ZINC000102985687	562813886	/nfs/dbraw/zinc/81/38/86/562813886.db2.gz	OYGYPFGJGQWDBF-VGSWGCGISA-N	-1	0	546.601	4.089	1	10		KICFRM
CCOc1ccc2nc(NC(=O)C(O)=C3C(=O)C(CC4C(=O)c5ccccc5C4=O)=C([O-])CC3(C)C)sc2c1	ZINC000102985689	562813881	/nfs/dbraw/zinc/81/38/81/562813881.db2.gz	OYGYPFGJGQWDBF-VGOFRKELSA-N	-1	0	546.601	4.089	1	10		KICFRM
CCOc1ccc2nc(NC(=O)C(O)=C3C(=O)C(CC4C(=O)c5ccccc5C4=O)=C([O-])CC3(C)C)sc2c1	ZINC000102985691	562813868	/nfs/dbraw/zinc/81/38/68/562813868.db2.gz	OYGYPFGJGQWDBF-JTSKRJEESA-N	-1	0	546.601	4.089	1	10		KICFRM
CCOc1ccc2nc(NC(=O)C(O)=C3C(=O)C(CC4C(=O)c5ccccc5C4=O)=C([O-])CC3(C)C)sc2c1	ZINC000102985692	562813875	/nfs/dbraw/zinc/81/38/75/562813875.db2.gz	OYGYPFGJGQWDBF-HTAPYJJXSA-N	-1	0	546.601	4.089	1	10		KICFRM
CCC(CC)C(=O)Nc1cc(NC(=O)C(C)C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1OCC(=O)[O-]	ZINC000103250989	562820286	/nfs/dbraw/zinc/82/02/86/562820286.db2.gz	SEBZVPKVYLNJSM-CSKARUKUSA-N	-1	0	527.574	4.182	1	10		KICFRM
CCC(CC)C(=O)Nc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1OCC(=O)[O-]	ZINC000103253674	562820569	/nfs/dbraw/zinc/82/05/69/562820569.db2.gz	MXZKCSUOMHUBQG-XHTZSRGPSA-N	-1	0	589.645	4.315	1	10		KICFRM
CCC(CC)C(=O)Nc1cc(NC(=O)C(C)C)c(NC(=O)CCc2ccc(O)c(O)c2)cc1OCC(=O)[O-]	ZINC000103253681	562820592	/nfs/dbraw/zinc/82/05/92/562820592.db2.gz	DVJMNXPVLVMWSE-UHFFFAOYSA-N	-1	0	529.590	4.102	1	10		KICFRM
Cc1ccc(C(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccc(C3(C)CCOCC3)cc2)c[n+]1[O-]	ZINC000113626834	562826705	/nfs/dbraw/zinc/82/67/05/562826705.db2.gz	ITIVVPSRJXMQDB-UHFFFAOYSA-N	-1	0	501.004	4.382	1	10		KICFRM
Cc1cc(C(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccc(C3(C)CCOCC3)cc2)cc[n+]1[O-]	ZINC000166294948	562850378	/nfs/dbraw/zinc/85/03/78/562850378.db2.gz	SQCDQVFKGKHNKU-UHFFFAOYSA-N	-1	0	501.004	4.382	1	10		KICFRM
O=C([O-])CCCCCN1C(=O)/C(=C2\c3ccccc3N(Cc3ccc([N+](=O)[O-])cc3)C2=O)SC1=S	ZINC000169325264	562857569	/nfs/dbraw/zinc/85/75/69/562857569.db2.gz	DBCQXMVNSPRODR-MRCUWXFGSA-N	-1	0	511.581	4.358	1	10		KICFRM
O=C1N=C(Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)SC1=Cc1coc2ccccc2c1=O	ZINC000299854972	562891511	/nfs/dbraw/zinc/89/15/11/562891511.db2.gz	ARQBPJLZZVFUBU-WOJGMQOQSA-N	-1	0	510.578	4.133	1	10		KICFRM
C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S	ZINC000299861031	562893129	/nfs/dbraw/zinc/89/31/29/562893129.db2.gz	HNCWMGXOYHLERW-DBZAVIBRSA-N	-1	0	508.646	4.448	1	10		KICFRM
O=C1N=C(Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)SC1=Cc1coc2ccccc2c1=O	ZINC000299863968	562893984	/nfs/dbraw/zinc/89/39/84/562893984.db2.gz	QPWWWBGKRQPFGQ-DEDYPNTBSA-N	-1	0	504.549	4.071	1	10		KICFRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC3=NC(=O)C(=Cc4coc5ccccc5c4=O)S3)cc2)n1	ZINC000299865837	562894502	/nfs/dbraw/zinc/89/45/02/562894502.db2.gz	USWDGTWLHOHCHL-CIAFOILYSA-N	-1	0	533.591	4.083	1	10		KICFRM
COc1c(N2CCN(CN3c4ccccc4C(N=NC(N)=S)C3=O)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000377795138	562895942	/nfs/dbraw/zinc/89/59/42/562895942.db2.gz	YGHWJSRZMRYDSM-HNNXBMFYSA-N	-1	0	607.668	4.338	1	10		KICFRM
COc1c(N2CCN(CN3c4ccccc4C(N=NC(N)=S)C3=O)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000377795139	562895921	/nfs/dbraw/zinc/89/59/21/562895921.db2.gz	YGHWJSRZMRYDSM-OAHLLOKOSA-N	-1	0	607.668	4.338	1	10		KICFRM
COc1c(N2CCN(CN3c4ccccc4C(N=NC(N)=O)C3=O)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000377795841	562895940	/nfs/dbraw/zinc/89/59/40/562895940.db2.gz	AGIQOBYSJVOFIJ-HNNXBMFYSA-N	-1	0	591.600	4.173	1	10		KICFRM
COc1c(N2CCN(CN3c4ccccc4C(N=NC(N)=O)C3=O)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000377795842	562895937	/nfs/dbraw/zinc/89/59/37/562895937.db2.gz	AGIQOBYSJVOFIJ-OAHLLOKOSA-N	-1	0	591.600	4.173	1	10		KICFRM
COc1c(N2CCN(CN3c4ccc(C)cc4C(N=NC(N)=O)C3=O)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000377829709	562896221	/nfs/dbraw/zinc/89/62/21/562896221.db2.gz	FVEGRXPPWMUYKC-INIZCTEOSA-N	-1	0	605.627	4.482	1	10		KICFRM
COc1c(N2CCN(CN3c4ccc(C)cc4C(N=NC(N)=O)C3=O)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000377829710	562896235	/nfs/dbraw/zinc/89/62/35/562896235.db2.gz	FVEGRXPPWMUYKC-MRXNPFEDSA-N	-1	0	605.627	4.482	1	10		KICFRM
COc1c(N2CCN(CN3c4ccc(F)cc4C(N=NC(N)=S)C3=O)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000379420249	562896569	/nfs/dbraw/zinc/89/65/69/562896569.db2.gz	BDVMIJOIMDELRH-AWEZNQCLSA-N	-1	0	625.658	4.477	1	10		KICFRM
COc1c(N2CCN(CN3c4ccc(F)cc4C(N=NC(N)=S)C3=O)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000379420250	562896554	/nfs/dbraw/zinc/89/65/54/562896554.db2.gz	BDVMIJOIMDELRH-CQSZACIVSA-N	-1	0	625.658	4.477	1	10		KICFRM
COc1c(N2CCN(CN3c4ccc(F)cc4C(N=NC(N)=O)C3=O)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000379420253	562896557	/nfs/dbraw/zinc/89/65/57/562896557.db2.gz	QRCNFSBXEVUPSI-AWEZNQCLSA-N	-1	0	609.590	4.312	1	10		KICFRM
COc1c(N2CCN(CN3c4ccc(F)cc4C(N=NC(N)=O)C3=O)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000379420254	562896573	/nfs/dbraw/zinc/89/65/73/562896573.db2.gz	QRCNFSBXEVUPSI-CQSZACIVSA-N	-1	0	609.590	4.312	1	10		KICFRM
C[C@@]12C[C@@H]3C(=CC[C@@H]4C(=O)N(CCC(=O)[O-])C(=O)[C@@H]43)[C@H](c3ccc(F)cc3)[C@@H]1C(=O)c1ccccc1C2=O	ZINC000473122451	562899505	/nfs/dbraw/zinc/89/95/05/562899505.db2.gz	JCLSRUMDXHHIEY-CPKWHBFMSA-N	-1	0	515.537	4.037	1	10		KICFRM
CC1=NN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2cc(Br)cc(Br)c2[O-])C1	ZINC000653718463	562908625	/nfs/dbraw/zinc/90/86/25/562908625.db2.gz	AQRISIKIXBWSGQ-HNNXBMFYSA-N	-1	0	519.171	4.337	1	10		KICFRM
CC1=NN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2cc(Br)cc(Br)c2[O-])C1	ZINC000653718464	562908631	/nfs/dbraw/zinc/90/86/31/562908631.db2.gz	AQRISIKIXBWSGQ-OAHLLOKOSA-N	-1	0	519.171	4.337	1	10		KICFRM
COc1ccc(COCCN(CCOCc2ccc(Br)cc2)c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1	ZINC000653779432	562912010	/nfs/dbraw/zinc/91/20/10/562912010.db2.gz	AGFOAWRTVDVKEB-UHFFFAOYSA-N	-1	0	608.489	4.447	1	10		KICFRM
O=C1[N-]C(=O)C(=Cc2ccc(N(CCO)CCOC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(=O)N1	ZINC000653779460	562912008	/nfs/dbraw/zinc/91/20/08/562912008.db2.gz	MYRYNNRIXZGZFK-UHFFFAOYSA-N	-1	0	561.638	4.243	1	10		KICFRM
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1c(O)c(O)c(Br)c2[C@@H](C(C)=O)C(=O)[O-]	ZINC000008671627	561706509	/nfs/dbraw/zinc/70/65/09/561706509.db2.gz	UOGZZDLPFGQPGB-OAHLLOKOSA-N	-1	0	504.333	4.355	3	10		KICFRM
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1c(O)c(O)c(Br)c2[C@H](C(C)=O)C(=O)[O-]	ZINC000008671628	561706541	/nfs/dbraw/zinc/70/65/41/561706541.db2.gz	UOGZZDLPFGQPGB-HNNXBMFYSA-N	-1	0	504.333	4.355	3	10		KICFRM