smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(OS(=O)(=O)C(F)(F)F)C(=O)C(c2c[nH]c3c2cccc3CC=C(C)C)=C(OS(=O)(=O)C(F)(F)F)C1=O	ZINC000095608412	562783507	/nfs/dbraw/zinc/78/35/07/562783507.db2.gz	MJKUWOBPLQPVNT-UHFFFAOYSA-N	0	0	770.726	7.628	1	70		KKIFRN
CCOC(=O)N[C@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1	ZINC000143211546	562834759	/nfs/dbraw/zinc/83/47/59/562834759.db2.gz	IYOXRIYLNPCVQS-LPHOPBHVSA-N	0	0	526.360	5.609	1	70		KKIFRN
CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C	ZINC000160673886	562849029	/nfs/dbraw/zinc/84/90/29/562849029.db2.gz	DUEWLUKXNJMYIL-MNUHXLGESA-N	0	0	766.980	7.800	3	70		KKIFRN
CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](Nc2ncc(-c3ccc(Br)cc3)s2)O[C@H]1COC(=O)c1ccccc1	ZINC000160873452	562849084	/nfs/dbraw/zinc/84/90/84/562849084.db2.gz	UPHQROQYAQMZKO-KZBWDDFOSA-N	0	0	771.642	6.949	1	70		KKIFRN
Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1	ZINC000217355364	562877510	/nfs/dbraw/zinc/87/75/10/562877510.db2.gz	XRGXXOHUNLUDEX-UHFFFAOYSA-N	0	0	581.570	6.318	1	70		KKIFRN
COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(-c5csc(C)n5)cc4)ccc3C)c[nH]c-2n1	ZINC000217119694	562877513	/nfs/dbraw/zinc/87/75/13/562877513.db2.gz	BJJFGMMHFJGLMC-UHFFFAOYSA-N	0	0	511.607	5.954	1	70		KKIFRN
COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(N(C)C)cc(C(F)(F)F)c4)ccc3C)c[nH]c-2n1	ZINC000217060796	562877520	/nfs/dbraw/zinc/87/75/20/562877520.db2.gz	ZHHTZWLJAWTRCC-UHFFFAOYSA-N	0	0	525.531	5.607	1	70		KKIFRN
COc1nn2cc(-c3cc4c(cc(OS(=O)(=O)C(F)(F)F)cc4OCc4cccc(OCc5ccccc5)c4)o3)nc2s1	ZINC000653752992	562910763	/nfs/dbraw/zinc/91/07/63/562910763.db2.gz	ZNHDCOPPLPIXTO-UHFFFAOYSA-N	0	0	631.610	6.599	1	70		KKIFRN
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1	ZINC000073291874	562737503	/nfs/dbraw/zinc/73/75/03/562737503.db2.gz	DIHZBNKWFFGVJG-UHFFFAOYSA-N	0	0	501.522	6.241	1	70		KKIFRN
CCOC(=O)N[C@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1	ZINC000143211957	562834745	/nfs/dbraw/zinc/83/47/45/562834745.db2.gz	IYOXRIYLNPCVQS-APWZRJJASA-N	0	0	526.360	5.609	1	70		KKIFRN
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C(=O)OCc4ccccc4)CC3)cc2)n1	ZINC000218481539	562877911	/nfs/dbraw/zinc/87/79/11/562877911.db2.gz	DVDWCHHLKXYBCX-WNCULLNHSA-N	0	0	558.683	5.085	1	70		KKIFRN
COc1ccc([C@H](CC(=O)Nc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)CS(N)(=O)=O)cc1	ZINC000217078255	562877542	/nfs/dbraw/zinc/87/75/42/562877542.db2.gz	RBEMCGHZKSNZJY-MRXNPFEDSA-N	0	0	509.411	5.195	1	70		KKIFRN
Cn1cc2c(n1)C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)NCc5ccccc5)CC[C@]43C)[C@@]1(C)C2	ZINC000218064387	562877833	/nfs/dbraw/zinc/87/78/33/562877833.db2.gz	SYNDYSNZIDHFCX-FJUSXIJUSA-N	0	0	581.889	8.552	1	70		KKIFRN
COc1ccc(N=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2C)[C@H](CO[SiH](C)C)CC(C)C)c(OC)c1	ZINC000299846090	562889637	/nfs/dbraw/zinc/88/96/37/562889637.db2.gz	ICSSMIHYNYPFIA-MHZLTWQESA-N	0	0	640.894	6.587	1	70		KKIFRN
Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(OS(=O)(=O)C(F)(F)F)c(N5CCN(C)CC5)c4)cc3)c(C)c2)no1	ZINC000036089146	562046737	/nfs/dbraw/zinc/04/67/37/562046737.db2.gz	PGZMFZSVWPPODZ-UHFFFAOYSA-N	0	0	615.634	5.253	1	70		KKIFRN
O=[S@](C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1	ZINC000073370451	562738384	/nfs/dbraw/zinc/73/83/84/562738384.db2.gz	YUAUQVIUYAEULS-PGUFJCEWSA-N	0	0	511.026	6.620	1	70		KKIFRN
CC(C)[C@H](C(=O)OCc1ccccc1)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000160729143	562849021	/nfs/dbraw/zinc/84/90/21/562849021.db2.gz	BEYZZJDYUHCXFJ-JDIHBLRXSA-N	0	0	694.914	5.315	1	70		KKIFRN
CC1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)On6nnc7ccccc76)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O	ZINC000169350680	562862910	/nfs/dbraw/zinc/86/29/10/562862910.db2.gz	XEVYSBZDMALPKK-DIULBLBCSA-N	0	0	587.805	6.728	1	70		KKIFRN
COc1ccccc1-c1c2nc(Nc3ccc(-c4cnn(C)c4)cc3OC(C)C)ncc2sc1C(N)=O	ZINC000217651996	562877707	/nfs/dbraw/zinc/87/77/07/562877707.db2.gz	URHVQJZEFHMQBZ-UHFFFAOYSA-N	0	0	514.611	5.397	1	70		KKIFRN
O=S(=O)(NCCCN1c2ccccc2CCc2ccc(Cl)cc21)c1cnc(Cl)c(Br)c1	ZINC000218265977	562877886	/nfs/dbraw/zinc/87/78/86/562877886.db2.gz	FYVNISNQLFXCHL-UHFFFAOYSA-N	0	0	541.298	5.756	1	70		KKIFRN
COc1ccccc1OCC(=O)N1CCN(C(c2ccc(Br)cc2)c2ccc(Br)cc2)CC1	ZINC000218481485	562877909	/nfs/dbraw/zinc/87/79/09/562877909.db2.gz	RIVIVYCTIGYNNS-UHFFFAOYSA-N	0	0	574.313	5.533	1	70		KKIFRN
O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)[C@@H](C1CC1)N2S(=O)(=O)c1cccc(OC(F)(F)F)c1	ZINC000218578946	562877928	/nfs/dbraw/zinc/87/79/28/562877928.db2.gz	GMLLSHNRXYDSNG-AREMUKBSSA-N	0	0	738.128	6.016	1	70		KKIFRN
O=[S@@](C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1	ZINC000073370453	562738358	/nfs/dbraw/zinc/73/83/58/562738358.db2.gz	YUAUQVIUYAEULS-DHUJRADRSA-N	0	0	511.026	6.620	1	70		KKIFRN
CCCCP(CCCC)(CCCC)=C(C(=O)OC)C(C(=O)OC)=C1SC(C(=O)OC)=C(C(=O)OC)S1	ZINC000073417803	562738800	/nfs/dbraw/zinc/73/88/00/562738800.db2.gz	KWTOBZMTKCEYHB-UHFFFAOYSA-N	0	0	562.687	5.172	1	70		KKIFRN
C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nc6c(nc5C[C@@]43C)C[C@@H]3CC[C@H]4[C@@H]5CC=C(OS(=O)(=O)C(F)(F)F)[C@@]5(C)CC[C@@H]4[C@@]3(C)C6)[C@@H]1CC=C2OS(=O)(=O)C(F)(F)F	ZINC000095551748	562760426	/nfs/dbraw/zinc/76/04/26/562760426.db2.gz	GZMWJBRRQRZETR-RFLMAGMWSA-N	0	0	832.970	9.111	1	70		KKIFRN
CCOC(=O)C(C(=O)c1cc(F)c(Cl)nc1Cl)=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000096929992	562803167	/nfs/dbraw/zinc/80/31/67/562803167.db2.gz	QLJPBTRITJUXDT-UHFFFAOYSA-N	0	0	540.358	5.440	1	70		KKIFRN
O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)[C@H](C1CC1)N2S(=O)(=O)c1cccc(OC(F)(F)F)c1	ZINC000218578867	562877929	/nfs/dbraw/zinc/87/79/29/562877929.db2.gz	GMLLSHNRXYDSNG-SANMLTNESA-N	0	0	738.128	6.016	1	70		KKIFRN
Cn1c2cc(N3CC[C@@H](F)C3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2nc1Nc1c(Cl)ccc(CNC(=O)[C@](C)(O)C(F)(F)F)c1Cl	ZINC000218690200	562877934	/nfs/dbraw/zinc/87/79/34/562877934.db2.gz	ZIGDZHWRACJSAI-HOLBHBGLSA-N	0	0	719.926	7.146	1	70		KKIFRN
Cc1nc(-c2cccc(-c3nc4c(n3C(C)C)[C@@H](c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C4=O)c2)c[nH]1	ZINC000217835309	562877764	/nfs/dbraw/zinc/87/77/64/562877764.db2.gz	DPBKTMYFTUQWIW-MUUNZHRXSA-N	0	0	556.497	8.195	1	70		KKIFRN
Cc1[nH]c(/C=C2\C(=O)Nc3c2cccc3-c2csc(-c3ccccc3)n2)c(C)c1C(=O)N1CCN(C)CC1	ZINC000218196356	562877839	/nfs/dbraw/zinc/87/78/39/562877839.db2.gz	KLANLBXARIECSL-KQWNVCNZSA-N	0	0	523.662	5.302	1	70		KKIFRN
COc1ccc(N=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2C)[C@@H](CO[SiH](C)C)CC(C)C)c(OC)c1	ZINC000299846089	562889621	/nfs/dbraw/zinc/88/96/21/562889621.db2.gz	ICSSMIHYNYPFIA-HHHXNRCGSA-N	0	0	640.894	6.587	1	70		KKIFRN
C[NH+](C)[C@@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)cn2)C1	ZINC000217916513	562877746	/nfs/dbraw/zinc/87/77/46/562877746.db2.gz	PMJOHZYXFPYBDN-OAQYLSRUSA-N	0	0	562.501	6.786	1	70		KKIFRN
C[NH+](C)[C@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)cn2)C1	ZINC000217916548	562877800	/nfs/dbraw/zinc/87/78/00/562877800.db2.gz	PMJOHZYXFPYBDN-NRFANRHFSA-N	0	0	562.501	6.786	1	70		KKIFRN
CC1(C)CC[C@]2(C(=O)NCCCN3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000218089031	562877815	/nfs/dbraw/zinc/87/78/15/562877815.db2.gz	PWEWOIQZTIVNJQ-RXLVGJJOSA-N	0	0	605.908	7.329	1	70		KKIFRN
CC1(C)CC[C@]2(C(=O)NCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000218064012	562877836	/nfs/dbraw/zinc/87/78/36/562877836.db2.gz	VMWJFEDZHRUCIC-RXLVGJJOSA-N	0	0	568.846	8.806	1	70		KKIFRN
CC1(C)CC[C@]2(C(=O)On3nnc4ccccc43)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000473151811	562901704	/nfs/dbraw/zinc/90/17/04/562901704.db2.gz	RDUJMECAXSRXGG-MZROMGLCSA-N	0	0	589.821	6.522	1	70		KKIFRN
CC(F)(F)c1nn2cc(-c3cc4c(cc(OS(=O)(=O)C(F)(F)F)cc4OCc4cccc(OCc5ccccc5)c4)o3)nc2s1	ZINC000653752859	562910784	/nfs/dbraw/zinc/91/07/84/562910784.db2.gz	DMJCQZDLSARVMI-UHFFFAOYSA-N	0	0	665.618	7.702	1	70		KKIFRN
CC(C)OC(=O)C(C(=O)c1ccc(Cl)nc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000096929986	562803146	/nfs/dbraw/zinc/80/31/46/562803146.db2.gz	DHKYHKCEXVFHEE-UHFFFAOYSA-N	0	0	501.950	5.036	1	70		KKIFRN
CCOC(=O)N[C@@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1	ZINC000143211773	562834765	/nfs/dbraw/zinc/83/47/65/562834765.db2.gz	IYOXRIYLNPCVQS-VQIMIIECSA-N	0	0	526.360	5.609	1	70		KKIFRN
Cc1nc(-c2cccc(-c3nc4c(n3C(C)C)[C@H](c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C4=O)c2)c[nH]1	ZINC000217835398	562877773	/nfs/dbraw/zinc/87/77/73/562877773.db2.gz	DPBKTMYFTUQWIW-NDEPHWFRSA-N	0	0	556.497	8.195	1	70		KKIFRN
C[P@@](=O)([O-])OC[C@]([NH3+])(CO)CCc1ccc(-c2ccc(SCc3ccccc3)cc2)cc1Cl	ZINC000049802363	562685648	/nfs/dbraw/zinc/68/56/48/562685648.db2.gz	WEYWOPITACEWLF-RUZDIDTESA-N	0	0	506.004	5.118	1	70		KKIFRN
COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C#N)o4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1	ZINC000095555593	562761550	/nfs/dbraw/zinc/76/15/50/562761550.db2.gz	LAYCEAXCAXOWSD-AREMUKBSSA-N	0	0	741.770	5.611	1	70		KKIFRN
CCOC(=O)N[C@@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1	ZINC000143211340	562834772	/nfs/dbraw/zinc/83/47/72/562834772.db2.gz	IYOXRIYLNPCVQS-QFBILLFUSA-N	0	0	526.360	5.609	1	70		KKIFRN
C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(OS(=O)(=O)C(F)(F)F)C(=O)C(c2c[nH]c3c2cccc3CC=C(C)C)=C(N)C1=O	ZINC000150570728	562845077	/nfs/dbraw/zinc/84/50/77/562845077.db2.gz	FVBONVBQVQOTPO-UHFFFAOYSA-N	0	0	637.680	6.721	1	70		KKIFRN
O=C(OC[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)c1cnn(-c2ccccc2)n1)c1ccccc1	ZINC000161127849	562849151	/nfs/dbraw/zinc/84/91/51/562849151.db2.gz	BAKVUGKREKGLDW-QGBCWPEESA-N	0	0	681.701	6.474	1	70		KKIFRN
Cc1csc(NC(=O)N[C@H]2CCN(c3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)n[nH]c4n3)C2)n1	ZINC000218451364	562877900	/nfs/dbraw/zinc/87/79/00/562877900.db2.gz	NVKLMARNYJAHNQ-SFHVURJKSA-N	0	0	526.626	5.165	1	70		KKIFRN
COc1c(OS(=O)(=O)C(F)(F)F)cc2oc3cc(OS(=O)(=O)C(F)(F)F)c(CC=C(C)C)c(=O)c-3c([O-])c2c1CC=C(C)C	ZINC000169345085	562861505	/nfs/dbraw/zinc/86/15/05/562861505.db2.gz	DJIUZJTVNCQQCE-UHFFFAOYSA-N	0	0	674.590	6.135	1	70		KKIFRN
COc1ccccc1-c1c2nc(Nc3ccc(NC4CCOCC4)cc3OC(C)C)ncc2sc1C(N)=O	ZINC000217655712	562877727	/nfs/dbraw/zinc/87/77/27/562877727.db2.gz	QFALLVRHZMVEMI-UHFFFAOYSA-N	0	0	533.654	5.588	1	70		KKIFRN
COc1cc2c(cc1OC)[C@H]([C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)N(C)[C@H](C(=O)Oc1c(F)c(F)c(F)c(F)c1F)C2	ZINC000049947022	562695662	/nfs/dbraw/zinc/69/56/62/562695662.db2.gz	ULXVOSPXECLEFL-HNMNOHOESA-N	0	0	648.625	6.265	1	70		KKIFRN
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc(-c2cccc([N+](=O)[O-])c2)c1	ZINC000073241239	562736946	/nfs/dbraw/zinc/73/69/46/562736946.db2.gz	CNEMQZOFUYUAJM-UHFFFAOYSA-N	0	0	501.522	6.241	1	70		KKIFRN
O=S(=O)(Oc1ccc2oc3ccccc3c2c1-c1c2c(ccc1OS(=O)(=O)C(F)(F)F)oc1ccccc12)C(F)(F)F	ZINC000082196725	562742764	/nfs/dbraw/zinc/74/27/64/562742764.db2.gz	ZCNHNIMMBHGZHK-UHFFFAOYSA-N	0	0	630.496	7.609	1	70		KKIFRN
O=C1C(=Cc2ccc(Cl)c(Cl)c2)C(=O)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000377841326	562896286	/nfs/dbraw/zinc/89/62/86/562896286.db2.gz	GRQHZMQDOOMIPJ-UHFFFAOYSA-N	0	0	803.662	8.431	1	70		KKIFRN
O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)s1	ZINC000073389413	562738570	/nfs/dbraw/zinc/73/85/70/562738570.db2.gz	KQBVRQXUFWZFNH-UHFFFAOYSA-N	0	0	507.551	6.302	1	70		KKIFRN
O=C1CC([C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1	ZINC000160972834	562849137	/nfs/dbraw/zinc/84/91/37/562849137.db2.gz	TYGWBMWKACJZTJ-PCJBSNJDSA-N	0	0	713.871	7.598	1	70		KKIFRN
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc(Cl)c3)c(Oc3ccccc3C(F)(F)F)s2)cc1	ZINC000217752085	562877734	/nfs/dbraw/zinc/87/77/34/562877734.db2.gz	QDSXXUYMZGAZSR-UHFFFAOYSA-N	0	0	581.037	7.249	1	70		KKIFRN
CC(C)OC(=O)C(C(=O)c1cc(F)c(Cl)nc1Cl)=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000096929993	562803170	/nfs/dbraw/zinc/80/31/70/562803170.db2.gz	RGNBZXXOZLEHMB-UHFFFAOYSA-N	0	0	554.385	5.828	1	70		KKIFRN
O=C(OC[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)c1cnn(-c2ccccc2)n1)c1ccccc1	ZINC000161127978	562849139	/nfs/dbraw/zinc/84/91/39/562849139.db2.gz	BAKVUGKREKGLDW-KVBYWJEESA-N	0	0	681.701	6.474	1	70		KKIFRN
Cc1cn([C@H]2C[C@H](OC(=O)C(Cl)(Cl)Cl)[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)O2)c(=O)[nH]c1=O	ZINC000161338490	562849157	/nfs/dbraw/zinc/84/91/57/562849157.db2.gz	QDCHSCPXSCPRHU-IVZWLZJFSA-N	0	0	730.360	5.313	1	70		KKIFRN
CC(C(=O)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000195760030	562872238	/nfs/dbraw/zinc/87/22/38/562872238.db2.gz	IDQPQEIKHBHGKG-WJOKGBTCSA-N	0	0	600.815	6.707	1	70		KKIFRN
COC(=O)c1cc2cc(NCc3cc(NC(=O)Cc4ccccc4Br)ccc3C)c[nH]c-2n1	ZINC000217115931	562877518	/nfs/dbraw/zinc/87/75/18/562877518.db2.gz	RWHUDLSXIKCXOL-UHFFFAOYSA-N	0	0	507.388	5.214	1	70		KKIFRN
CN(C(=O)c1c(F)cccc1Cl)c1ncc(-c2cc(C(N)=O)ccc2Cl)cc1OCC(F)(F)F	ZINC000217863809	562877750	/nfs/dbraw/zinc/87/77/50/562877750.db2.gz	LQCBFNJADLRCSO-UHFFFAOYSA-N	0	0	516.278	5.511	1	70		KKIFRN
CC1(C)CC[C@]2(C(=O)NCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c[nH]nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000218064217	562877811	/nfs/dbraw/zinc/87/78/11/562877811.db2.gz	DTHSOQMYBPWORB-RXLVGJJOSA-N	0	0	567.862	8.542	1	70		KKIFRN
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)Nc2ccccc2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1	ZINC000218633583	562877910	/nfs/dbraw/zinc/87/79/10/562877910.db2.gz	LXLAALURXKPNDV-KMXUMHSJSA-N	0	0	655.688	8.078	1	70		KKIFRN
O=C(Oc1c2ccc(Cl)cc2[nH]c(=O)c1-c1cccc(Oc2ccccc2)c1)c1ccc(S(=O)(=O)F)cc1	ZINC000036294543	562054762	/nfs/dbraw/zinc/05/47/62/562054762.db2.gz	BBQJYLRTQOGVLB-UHFFFAOYSA-N	0	0	549.963	6.518	1	70		KKIFRN
COc1cc2c(cc1OC)[C@H]([C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)N(C)[C@H](C(=O)Oc1c(F)c(F)c(F)c(F)c1F)C2	ZINC000049786004	562684224	/nfs/dbraw/zinc/68/42/24/562684224.db2.gz	ULXVOSPXECLEFL-LRZFZUCMSA-N	0	0	648.625	6.265	1	70		KKIFRN
COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C=O)o4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1	ZINC000095553799	562761034	/nfs/dbraw/zinc/76/10/34/562761034.db2.gz	JANLGSJXCDTCLC-AREMUKBSSA-N	0	0	744.770	5.552	1	70		KKIFRN
COc1ccc([C@@H](CC(=O)Nc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)CS(N)(=O)=O)cc1	ZINC000217078226	562877524	/nfs/dbraw/zinc/87/75/24/562877524.db2.gz	RBEMCGHZKSNZJY-INIZCTEOSA-N	0	0	509.411	5.195	1	70		KKIFRN
Cc1csc(NC(=O)N[C@@H]2CCN(c3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)n[nH]c4n3)C2)n1	ZINC000218451282	562877925	/nfs/dbraw/zinc/87/79/25/562877925.db2.gz	NVKLMARNYJAHNQ-GOSISDBHSA-N	0	0	526.626	5.165	1	70		KKIFRN
CSc1nn2cc(-c3cc4c(cc(OS(=O)(=O)C(F)(F)F)cc4OCc4cccc(OCc5ccccc5)c4)o3)nc2s1	ZINC000653752889	562910773	/nfs/dbraw/zinc/91/07/73/562910773.db2.gz	JRLOAACCOYKHGW-UHFFFAOYSA-N	0	0	647.678	7.312	1	70		KKIFRN
C[P@@](=O)([O-])OC[C@@]([NH3+])(CO)CCc1ccc(-c2ccc(SCc3ccccc3)cc2)cc1Cl	ZINC000049802364	562685646	/nfs/dbraw/zinc/68/56/46/562685646.db2.gz	WEYWOPITACEWLF-VWLOTQADSA-N	0	0	506.004	5.118	1	70		KKIFRN
O=S(=O)(Cl)c1ccc(Sc2nnc(Nc3ccc(C(Cl)(Cl)Cl)cc3)s2)cc1	ZINC000103294029	562824393	/nfs/dbraw/zinc/82/43/93/562824393.db2.gz	FWOQCOZRLRMCGQ-UHFFFAOYSA-N	0	0	501.269	6.187	1	70		KKIFRN
COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)ccc3C)c[nH]c-2n1	ZINC000217125753	562877532	/nfs/dbraw/zinc/87/75/32/562877532.db2.gz	SCVAZKOZRVMHGY-UHFFFAOYSA-N	0	0	516.907	6.195	1	70		KKIFRN