smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CCS(=O)(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000161378942	206345445	/nfs/dbraw/zinc/34/54/45/206345445.db2.gz	AVLNGVJIXQPPPU-KRWDZBQOSA-N	1	2	340.489	1.714	10	70		EDIELO
NC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161139211	206329796	/nfs/dbraw/zinc/32/97/96/206329796.db2.gz	CFLTWCDRFUOUCZ-GHMZBOCLSA-N	1	2	331.294	1.008	10	70		EDIELO
NC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161139211	206329798	/nfs/dbraw/zinc/32/97/98/206329798.db2.gz	CFLTWCDRFUOUCZ-GHMZBOCLSA-N	1	2	331.294	1.008	10	70		EDIELO
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1	ZINC000161170554	206332810	/nfs/dbraw/zinc/33/28/10/206332810.db2.gz	PEEQSOWNTCUPIX-PBHICJAKSA-N	1	2	341.411	1.724	10	70		EDIELO
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1	ZINC000161170554	206332815	/nfs/dbraw/zinc/33/28/15/206332815.db2.gz	PEEQSOWNTCUPIX-PBHICJAKSA-N	1	2	341.411	1.724	10	70		EDIELO
Cc1ccn2c(CN3CCN(C(=O)[C@H]4CCCO4)CC3)c[nH+]c2c1	ZINC000160991860	441943918	/nfs/dbraw/zinc/94/39/18/441943918.db2.gz	SKCQMOJGIBJYHB-MRXNPFEDSA-N	1	2	328.416	1.466	10	70		EDIELO
CCc1nn(C)cc1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1	ZINC000161103376	441958012	/nfs/dbraw/zinc/95/80/12/441958012.db2.gz	WDPQEALIKLKQEK-UHFFFAOYSA-N	1	2	342.447	1.405	10	70		EDIELO
CCc1ncsc1C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1	ZINC000161339685	441987549	/nfs/dbraw/zinc/98/75/49/441987549.db2.gz	RIEOPXYNDADWHD-NSHDSACASA-N	1	2	346.460	1.936	10	70		EDIELO
CCc1ncsc1C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1	ZINC000161339685	441987553	/nfs/dbraw/zinc/98/75/53/441987553.db2.gz	RIEOPXYNDADWHD-NSHDSACASA-N	1	2	346.460	1.936	10	70		EDIELO
Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)C(C)C	ZINC000159766932	206261909	/nfs/dbraw/zinc/26/19/09/206261909.db2.gz	LJCJFMNPLPSYHL-GFCCVEGCSA-N	1	2	334.420	1.326	10	70		EDIELO
Cc1cccc([C@H]2CCCN2C(=O)NC[C@H](C)[NH+]2CCOCC2)n1	ZINC000159898472	441846108	/nfs/dbraw/zinc/84/61/08/441846108.db2.gz	QMYMWMJROCEACW-DOTOQJQBSA-N	1	2	332.448	1.957	10	70		EDIELO
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1	ZINC000161170663	206333218	/nfs/dbraw/zinc/33/32/18/206333218.db2.gz	PEEQSOWNTCUPIX-YOEHRIQHSA-N	1	2	341.411	1.724	10	70		EDIELO
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1	ZINC000161170663	206333222	/nfs/dbraw/zinc/33/32/22/206333222.db2.gz	PEEQSOWNTCUPIX-YOEHRIQHSA-N	1	2	341.411	1.724	10	70		EDIELO
CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N1CCc2ccccc21	ZINC000161215478	441973350	/nfs/dbraw/zinc/97/33/50/441973350.db2.gz	KZPKYXWNHJAGEL-UHFFFAOYSA-N	1	2	347.440	1.968	10	70		EDIELO
CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)nn2C)C1	ZINC000161286509	441980583	/nfs/dbraw/zinc/98/05/83/441980583.db2.gz	RFDFRNSHHMDNBA-ZDUSSCGKSA-N	1	2	331.424	1.158	10	70		EDIELO
CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)nn2C)C1	ZINC000161286509	441980589	/nfs/dbraw/zinc/98/05/89/441980589.db2.gz	RFDFRNSHHMDNBA-ZDUSSCGKSA-N	1	2	331.424	1.158	10	70		EDIELO
C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(c2ccn[nH]2)CC1	ZINC000160552784	491019316	/nfs/dbraw/zinc/01/93/16/491019316.db2.gz	JJKYIRRQXBCHDX-VIFPVBQESA-N	1	2	347.341	1.366	10	70		EDIELO
CCn1cnnc1[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccccc2)C1	ZINC000161329767	441985974	/nfs/dbraw/zinc/98/59/74/441985974.db2.gz	DDYIWFPTKUNALK-OAHLLOKOSA-N	1	2	348.472	1.951	10	70		EDIELO
CCn1cnnc1[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)C1	ZINC000161329767	441985976	/nfs/dbraw/zinc/98/59/76/441985976.db2.gz	DDYIWFPTKUNALK-OAHLLOKOSA-N	1	2	348.472	1.951	10	70		EDIELO
C[C@H](C[C@@H](O)c1ccccc1)NC(=O)NC[C@@H](C)[NH+]1CCOCC1	ZINC000160226984	225364855	/nfs/dbraw/zinc/36/48/55/225364855.db2.gz	HUFJBJFWNXHZMB-BFYDXBDKSA-N	1	2	335.448	1.519	10	70		EDIELO
C[C@H](C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1[nH+]ccn1C	ZINC000161193158	441969827	/nfs/dbraw/zinc/96/98/27/441969827.db2.gz	FBEXGABKQISTCS-QWHCGFSZSA-N	1	2	335.429	1.601	10	70		EDIELO
COc1ccc(C[C@@H](C)CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1	ZINC000159664076	533747764	/nfs/dbraw/zinc/74/77/64/533747764.db2.gz	MASKWUZKTGDBPC-HZPDHXFCSA-N	1	2	349.475	1.894	10	70		EDIELO
CCCC[N@H+](Cc1c(C)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1	ZINC000160778118	441920573	/nfs/dbraw/zinc/92/05/73/441920573.db2.gz	OEADSQMRFPPILS-CYBMUJFWSA-N	1	2	329.466	1.526	10	70		EDIELO
CCCC[N@@H+](Cc1c(C)nn(C)c1OC)[C@@H]1CCS(=O)(=O)C1	ZINC000160778118	441920575	/nfs/dbraw/zinc/92/05/75/441920575.db2.gz	OEADSQMRFPPILS-CYBMUJFWSA-N	1	2	329.466	1.526	10	70		EDIELO
NC(=O)NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000161138875	441961867	/nfs/dbraw/zinc/96/18/67/441961867.db2.gz	CFLTWCDRFUOUCZ-QWRGUYRKSA-N	1	2	331.294	1.008	10	70		EDIELO
NC(=O)NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000161138875	441961875	/nfs/dbraw/zinc/96/18/75/441961875.db2.gz	CFLTWCDRFUOUCZ-QWRGUYRKSA-N	1	2	331.294	1.008	10	70		EDIELO
CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)NCc2cccs2)C1	ZINC000161313397	441984177	/nfs/dbraw/zinc/98/41/77/441984177.db2.gz	USZLOLYDTFNEDE-ZDUSSCGKSA-N	1	2	333.461	1.855	10	70		EDIELO
CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)NCc2cccs2)C1	ZINC000161313397	441984181	/nfs/dbraw/zinc/98/41/81/441984181.db2.gz	USZLOLYDTFNEDE-ZDUSSCGKSA-N	1	2	333.461	1.855	10	70		EDIELO
C[C@H](CNC(=O)NC[C@](C)(O)c1ccc(F)cc1)[NH+]1CCOCC1	ZINC000159660419	225257103	/nfs/dbraw/zinc/25/71/03/225257103.db2.gz	PZSDFJOTAVNPIJ-DYVFJYSZSA-N	1	2	339.411	1.053	10	70		EDIELO
C[C@H](CNC(=O)c1cccc(NC(=O)N(C)C)c1)[NH+]1CCOCC1	ZINC000159648959	225254676	/nfs/dbraw/zinc/25/46/76/225254676.db2.gz	PLODBHJSYXCGSC-CYBMUJFWSA-N	1	2	334.420	1.231	10	70		EDIELO
C[C@H](CNC(=O)CCc1nc(-c2ccoc2)no1)[NH+]1CCOCC1	ZINC000159643646	441825983	/nfs/dbraw/zinc/82/59/83/441825983.db2.gz	JOLGDKDEYSVAAU-GFCCVEGCSA-N	1	2	334.376	1.099	10	70		EDIELO
Cc1cccc([C@H]2CCCN2C(=O)NC[C@@H](C)[NH+]2CCOCC2)n1	ZINC000159898207	441845654	/nfs/dbraw/zinc/84/56/54/441845654.db2.gz	QMYMWMJROCEACW-NVXWUHKLSA-N	1	2	332.448	1.957	10	70		EDIELO
CCn1cnnc1[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccccc2)C1	ZINC000161329893	441985914	/nfs/dbraw/zinc/98/59/14/441985914.db2.gz	DDYIWFPTKUNALK-HNNXBMFYSA-N	1	2	348.472	1.951	10	70		EDIELO
CCn1cnnc1[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)C1	ZINC000161329893	441985917	/nfs/dbraw/zinc/98/59/17/441985917.db2.gz	DDYIWFPTKUNALK-HNNXBMFYSA-N	1	2	348.472	1.951	10	70		EDIELO
CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)NC[C@H]1CCCO1	ZINC000161219429	441973850	/nfs/dbraw/zinc/97/38/50/441973850.db2.gz	GKBXYOCUABPXPX-CHWSQXEVSA-N	1	2	343.449	1.063	10	70		EDIELO
CC(C)[C@@H](O)CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1	ZINC000159730076	528615264	/nfs/dbraw/zinc/61/52/64/528615264.db2.gz	ILOOWZNHZKUQDD-MSOLQXFVSA-N	1	2	334.460	1.453	10	70		EDIELO
CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160245308	529814129	/nfs/dbraw/zinc/81/41/29/529814129.db2.gz	YULHLUCQBOSEOU-CRAIPNDOSA-N	1	2	332.448	1.984	10	70		EDIELO
COCC[N@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)[C@@H](C)C(N)=O	ZINC000159812494	225282559	/nfs/dbraw/zinc/28/25/59/225282559.db2.gz	KLGCEZCKGFOUTM-FZMZJTMJSA-N	1	2	339.823	1.655	10	70		EDIELO
COCC[N@@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)[C@@H](C)C(N)=O	ZINC000159812494	225282562	/nfs/dbraw/zinc/28/25/62/225282562.db2.gz	KLGCEZCKGFOUTM-FZMZJTMJSA-N	1	2	339.823	1.655	10	70		EDIELO
CCS(=O)(=O)[C@H]1CSCCN1Cc1nc(NC)cc(C)[nH+]1	ZINC000159847033	225287819	/nfs/dbraw/zinc/28/78/19/225287819.db2.gz	UJDRJZPSSVVHKG-ZDUSSCGKSA-N	1	2	330.479	1.136	10	70		EDIELO
CCNc1cc(C)[nH+]c(CN2CCSC[C@@H]2S(C)(=O)=O)n1	ZINC000159846243	528427602	/nfs/dbraw/zinc/42/76/02/528427602.db2.gz	FDARVFBJVXHQJZ-ZDUSSCGKSA-N	1	2	330.479	1.136	10	70		EDIELO
CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160245444	529814240	/nfs/dbraw/zinc/81/42/40/529814240.db2.gz	YULHLUCQBOSEOU-QAPCUYQASA-N	1	2	332.448	1.984	10	70		EDIELO
O=C(N[C@@H]1CCCn2ncnc21)N1CC[NH+](Cc2ccccn2)CC1	ZINC000160622650	441903134	/nfs/dbraw/zinc/90/31/34/441903134.db2.gz	ORFYFBLUAOVDNH-OAHLLOKOSA-N	1	2	341.419	1.035	10	70		EDIELO
O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[C@@H](Oc2cccnc2)C1	ZINC000161479550	442004753	/nfs/dbraw/zinc/00/47/53/442004753.db2.gz	RAFUAOJWFKLSNL-MRXNPFEDSA-N	1	2	335.367	1.956	10	70		EDIELO
CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N(C)CC(F)(F)F)C1	ZINC000161346417	441988515	/nfs/dbraw/zinc/98/85/15/441988515.db2.gz	KUCQKDRRQORNBF-NSHDSACASA-N	1	2	333.358	1.498	10	70		EDIELO
CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)N(C)CC(F)(F)F)C1	ZINC000161346417	441988521	/nfs/dbraw/zinc/98/85/21/441988521.db2.gz	KUCQKDRRQORNBF-NSHDSACASA-N	1	2	333.358	1.498	10	70		EDIELO
O=S(=O)(Cc1c(F)cccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000160639566	441904820	/nfs/dbraw/zinc/90/48/20/441904820.db2.gz	VPQPNFKUCWLJLY-GFCCVEGCSA-N	1	2	330.400	1.965	10	70		EDIELO
O=S(=O)(Cc1c(F)cccc1F)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000160639566	441904824	/nfs/dbraw/zinc/90/48/24/441904824.db2.gz	VPQPNFKUCWLJLY-GFCCVEGCSA-N	1	2	330.400	1.965	10	70		EDIELO
CCC1(CC)[C@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@@H]1OC	ZINC000159895095	529101326	/nfs/dbraw/zinc/10/13/26/529101326.db2.gz	YFIOMFLGUNPGAZ-KFWWJZLASA-N	1	2	327.469	1.600	10	70		EDIELO
C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1	ZINC000161166911	441964711	/nfs/dbraw/zinc/96/47/11/441964711.db2.gz	GGEFMCYNXLQBTA-BXUZGUMPSA-N	1	2	341.249	1.999	10	70		EDIELO
C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1	ZINC000161166911	441964716	/nfs/dbraw/zinc/96/47/16/441964716.db2.gz	GGEFMCYNXLQBTA-BXUZGUMPSA-N	1	2	341.249	1.999	10	70		EDIELO
Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)C1CC1	ZINC000159844058	225287551	/nfs/dbraw/zinc/28/75/51/225287551.db2.gz	DOYLBWXKSJIKKB-LLVKDONJSA-N	1	2	332.404	1.080	10	70		EDIELO
CC(C)c1noc(CCCNC(=O)NC[C@@H](C)[NH+]2CCOCC2)n1	ZINC000161184294	441968366	/nfs/dbraw/zinc/96/83/66/441968366.db2.gz	RBAASJADDXEICR-CYBMUJFWSA-N	1	2	339.440	1.146	10	70		EDIELO
CNC(=O)NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161034051	441948674	/nfs/dbraw/zinc/94/86/74/441948674.db2.gz	ZNRDABHMCCAQBQ-NWDGAFQWSA-N	1	2	345.321	1.269	10	70		EDIELO
CNC(=O)NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161034051	441948679	/nfs/dbraw/zinc/94/86/79/441948679.db2.gz	ZNRDABHMCCAQBQ-NWDGAFQWSA-N	1	2	345.321	1.269	10	70		EDIELO
COC(=O)[C@H](c1cccnc1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000159885201	533371479	/nfs/dbraw/zinc/37/14/79/533371479.db2.gz	GZSLCYRSSZKBQN-WBVHZDCISA-N	1	2	341.415	1.687	10	70		EDIELO
COC(=O)[C@H](c1cccnc1)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000159885201	533371482	/nfs/dbraw/zinc/37/14/82/533371482.db2.gz	GZSLCYRSSZKBQN-WBVHZDCISA-N	1	2	341.415	1.687	10	70		EDIELO
COC(=O)CCCc1nc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)no1	ZINC000160738891	441915453	/nfs/dbraw/zinc/91/54/53/441915453.db2.gz	FEQMXSZFWOMIOU-DYVFJYSZSA-N	1	2	337.420	1.692	10	70		EDIELO
COC(=O)CCCc1nc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)no1	ZINC000160738891	441915456	/nfs/dbraw/zinc/91/54/56/441915456.db2.gz	FEQMXSZFWOMIOU-DYVFJYSZSA-N	1	2	337.420	1.692	10	70		EDIELO
CC(C)c1nc(N(C)C)nc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1	ZINC000160416075	441879544	/nfs/dbraw/zinc/87/95/44/441879544.db2.gz	QVPAGZSJENSLOK-KBPBESRZSA-N	1	2	334.468	1.218	10	70		EDIELO
COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000159973815	206272788	/nfs/dbraw/zinc/27/27/88/206272788.db2.gz	HVAJOBQBMKKCMV-RDJZCZTQSA-N	1	2	343.431	1.916	10	70		EDIELO
COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000159973815	206272792	/nfs/dbraw/zinc/27/27/92/206272792.db2.gz	HVAJOBQBMKKCMV-RDJZCZTQSA-N	1	2	343.431	1.916	10	70		EDIELO
O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CCc2ncnn2C1	ZINC000161013238	206323169	/nfs/dbraw/zinc/32/31/69/206323169.db2.gz	WXYRIKANYLZCDK-CYBMUJFWSA-N	1	2	329.408	1.179	10	70		EDIELO
C[C@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)[NH+]1CCOCC1	ZINC000160214810	441865921	/nfs/dbraw/zinc/86/59/21/441865921.db2.gz	ASSHWOALLKKTAQ-LLVKDONJSA-N	1	2	347.337	1.473	10	70		EDIELO
CCC1(CC)[C@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@H]1OC	ZINC000159895360	441844034	/nfs/dbraw/zinc/84/40/34/441844034.db2.gz	YFIOMFLGUNPGAZ-RBSFLKMASA-N	1	2	327.469	1.600	10	70		EDIELO
CNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161033924	206324877	/nfs/dbraw/zinc/32/48/77/206324877.db2.gz	ZNRDABHMCCAQBQ-VXGBXAGGSA-N	1	2	345.321	1.269	10	70		EDIELO
CNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161033924	206324880	/nfs/dbraw/zinc/32/48/80/206324880.db2.gz	ZNRDABHMCCAQBQ-VXGBXAGGSA-N	1	2	345.321	1.269	10	70		EDIELO
C[N@H+](CCN1CCS(=O)(=O)C(C)(C)C1)Cc1ccc(F)cc1	ZINC000160133864	441861905	/nfs/dbraw/zinc/86/19/05/441861905.db2.gz	YCUIRZMFCCSZIC-UHFFFAOYSA-N	1	2	328.453	1.767	10	70		EDIELO
C[N@@H+](CCN1CCS(=O)(=O)C(C)(C)C1)Cc1ccc(F)cc1	ZINC000160133864	441861911	/nfs/dbraw/zinc/86/19/11/441861911.db2.gz	YCUIRZMFCCSZIC-UHFFFAOYSA-N	1	2	328.453	1.767	10	70		EDIELO
CCCC[N@H+](Cc1c(C)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1	ZINC000160778239	206312792	/nfs/dbraw/zinc/31/27/92/206312792.db2.gz	OEADSQMRFPPILS-ZDUSSCGKSA-N	1	2	329.466	1.526	10	70		EDIELO
CCCC[N@@H+](Cc1c(C)nn(C)c1OC)[C@H]1CCS(=O)(=O)C1	ZINC000160778239	206312797	/nfs/dbraw/zinc/31/27/97/206312797.db2.gz	OEADSQMRFPPILS-ZDUSSCGKSA-N	1	2	329.466	1.526	10	70		EDIELO
COc1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1Cl	ZINC000159896280	441845677	/nfs/dbraw/zinc/84/56/77/441845677.db2.gz	QNHLGIRXEBPJGO-GFCCVEGCSA-N	1	2	341.839	1.869	10	70		EDIELO
O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000160827398	441925752	/nfs/dbraw/zinc/92/57/52/441925752.db2.gz	RGIAAPBHZLSZDR-NSHDSACASA-N	1	2	347.341	1.384	10	70		EDIELO
CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)NC[C@@H]1CCCO1	ZINC000161219201	441973337	/nfs/dbraw/zinc/97/33/37/441973337.db2.gz	GKBXYOCUABPXPX-OLZOCXBDSA-N	1	2	343.449	1.063	10	70		EDIELO
CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000160245577	529814253	/nfs/dbraw/zinc/81/42/53/529814253.db2.gz	YULHLUCQBOSEOU-MAUKXSAKSA-N	1	2	332.448	1.984	10	70		EDIELO
Cc1ncc(C[NH+]2CCN(Cc3nsc(N(C)C)n3)CC2)s1	ZINC000159900551	267497379	/nfs/dbraw/zinc/49/73/79/267497379.db2.gz	HDASZJWKYXNCCW-UHFFFAOYSA-N	1	2	338.506	1.687	10	70		EDIELO
C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1	ZINC000161167001	441965412	/nfs/dbraw/zinc/96/54/12/441965412.db2.gz	GGEFMCYNXLQBTA-FZMZJTMJSA-N	1	2	341.249	1.999	10	70		EDIELO
C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1	ZINC000161167001	441965414	/nfs/dbraw/zinc/96/54/14/441965414.db2.gz	GGEFMCYNXLQBTA-FZMZJTMJSA-N	1	2	341.249	1.999	10	70		EDIELO
COCC[N@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)[C@H](C)C(N)=O	ZINC000159812622	225283795	/nfs/dbraw/zinc/28/37/95/225283795.db2.gz	KLGCEZCKGFOUTM-RISCZKNCSA-N	1	2	339.823	1.655	10	70		EDIELO
COCC[N@@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)[C@H](C)C(N)=O	ZINC000159812622	225283797	/nfs/dbraw/zinc/28/37/97/225283797.db2.gz	KLGCEZCKGFOUTM-RISCZKNCSA-N	1	2	339.823	1.655	10	70		EDIELO
C[C@@H](CNC(=O)Cc1cccc(OC(F)(F)F)c1)[NH+]1CCOCC1	ZINC000161272899	441979193	/nfs/dbraw/zinc/97/91/93/441979193.db2.gz	RWYKXFAFEKWCNR-LBPRGKRZSA-N	1	2	346.349	1.965	10	70		EDIELO
CC(C)NC(=O)c1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1	ZINC000159975836	527720553	/nfs/dbraw/zinc/72/05/53/527720553.db2.gz	LAVPYTKKOPDDOS-CQSZACIVSA-N	1	2	333.432	1.275	10	70		EDIELO
O=C(c1cnc(C(F)(F)F)nc1)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000160702762	441912232	/nfs/dbraw/zinc/91/22/32/441912232.db2.gz	OGAPPSRQUHAKSV-LLVKDONJSA-N	1	2	330.310	1.042	10	70		EDIELO
C[C@@H](CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21)[NH+]1CCOCC1	ZINC000159649107	534032458	/nfs/dbraw/zinc/03/24/58/534032458.db2.gz	UHKXWUZCVVHRPQ-NSHDSACASA-N	1	2	333.363	1.118	10	70		EDIELO
Cc1cccc(-n2cc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)nn2)c1	ZINC000159988171	302919721	/nfs/dbraw/zinc/91/97/21/302919721.db2.gz	YCWXTHHXNBSALF-CQSZACIVSA-N	1	2	329.404	1.026	10	70		EDIELO
CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000160245695	529814274	/nfs/dbraw/zinc/81/42/74/529814274.db2.gz	YULHLUCQBOSEOU-YJBOKZPZSA-N	1	2	332.448	1.984	10	70		EDIELO
Cn1cc(N2CCC[C@H]([NH+]3CCC(c4ccn[nH]4)CC3)C2=O)cn1	ZINC000160073601	441857687	/nfs/dbraw/zinc/85/76/87/441857687.db2.gz	PEHYNWDAEFLUDC-INIZCTEOSA-N	1	2	328.420	1.518	10	70		EDIELO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(c2ccn[nH]2)CC1	ZINC000160552912	441896287	/nfs/dbraw/zinc/89/62/87/441896287.db2.gz	JJKYIRRQXBCHDX-SECBINFHSA-N	1	2	347.341	1.366	10	70		EDIELO
O=C1CCC(=O)N1CC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000160614594	441902464	/nfs/dbraw/zinc/90/24/64/441902464.db2.gz	SPSQOPMQJYXQGX-CYBMUJFWSA-N	1	2	331.420	1.290	10	70		EDIELO
O=C1CCC(=O)N1CC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000160614594	441902467	/nfs/dbraw/zinc/90/24/67/441902467.db2.gz	SPSQOPMQJYXQGX-CYBMUJFWSA-N	1	2	331.420	1.290	10	70		EDIELO
C[C@@H](CNC(=O)c1cccc(OCC(F)(F)F)n1)[NH+]1CCOCC1	ZINC000159646017	534045939	/nfs/dbraw/zinc/04/59/39/534045939.db2.gz	DWJRSSJBCQMZAG-NSHDSACASA-N	1	2	347.337	1.473	10	70		EDIELO
COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000159973696	533370589	/nfs/dbraw/zinc/37/05/89/533370589.db2.gz	HVAJOBQBMKKCMV-WBVHZDCISA-N	1	2	343.431	1.916	10	70		EDIELO
COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000159973696	533370593	/nfs/dbraw/zinc/37/05/93/533370593.db2.gz	HVAJOBQBMKKCMV-WBVHZDCISA-N	1	2	343.431	1.916	10	70		EDIELO
CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)nn2C)C1	ZINC000161286376	441981015	/nfs/dbraw/zinc/98/10/15/441981015.db2.gz	RFDFRNSHHMDNBA-CYBMUJFWSA-N	1	2	331.424	1.158	10	70		EDIELO
CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)nn2C)C1	ZINC000161286376	441981019	/nfs/dbraw/zinc/98/10/19/441981019.db2.gz	RFDFRNSHHMDNBA-CYBMUJFWSA-N	1	2	331.424	1.158	10	70		EDIELO
COc1ccc(C[C@@H](C)CNC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1	ZINC000159664330	533748163	/nfs/dbraw/zinc/74/81/63/533748163.db2.gz	MASKWUZKTGDBPC-CVEARBPZSA-N	1	2	349.475	1.894	10	70		EDIELO
Cc1ccn2c(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)c[nH+]c2c1	ZINC000160991733	441943972	/nfs/dbraw/zinc/94/39/72/441943972.db2.gz	SKCQMOJGIBJYHB-INIZCTEOSA-N	1	2	328.416	1.466	10	70		EDIELO
Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCN(c3ccccc3O)CC1)C2	ZINC000161264469	540032346	/nfs/dbraw/zinc/03/23/46/540032346.db2.gz	SLDGQFKRSBQONM-CQSZACIVSA-N	1	2	340.427	1.877	10	70		EDIELO
Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCN(c3ccccc3O)CC1)CC2	ZINC000161264469	540032350	/nfs/dbraw/zinc/03/23/50/540032350.db2.gz	SLDGQFKRSBQONM-CQSZACIVSA-N	1	2	340.427	1.877	10	70		EDIELO
C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCS(=O)(=O)C(C)(C)C1	ZINC000159949409	289289636	/nfs/dbraw/zinc/28/96/36/289289636.db2.gz	HQCUGQKJVJOVEZ-HNNXBMFYSA-N	1	2	338.473	1.195	10	70		EDIELO
CCNc1cc(C)[nH+]c(CN2CCSC[C@H]2S(C)(=O)=O)n1	ZINC000159846392	528427923	/nfs/dbraw/zinc/42/79/23/528427923.db2.gz	FDARVFBJVXHQJZ-CYBMUJFWSA-N	1	2	330.479	1.136	10	70		EDIELO
Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCN(c3ccccc3O)CC1)C2	ZINC000161264601	540032278	/nfs/dbraw/zinc/03/22/78/540032278.db2.gz	SLDGQFKRSBQONM-AWEZNQCLSA-N	1	2	340.427	1.877	10	70		EDIELO
Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCN(c3ccccc3O)CC1)CC2	ZINC000161264601	540032282	/nfs/dbraw/zinc/03/22/82/540032282.db2.gz	SLDGQFKRSBQONM-AWEZNQCLSA-N	1	2	340.427	1.877	10	70		EDIELO
C[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1nnc2n1CCCC2	ZINC000160246544	441867531	/nfs/dbraw/zinc/86/75/31/441867531.db2.gz	JHRTUODBORVEDL-LBPRGKRZSA-N	1	2	343.435	1.636	10	70		EDIELO
Cn1cnc2cc(C(=O)N3CC[NH+](Cc4cccs4)CC3)cnc21	ZINC000160018691	225321791	/nfs/dbraw/zinc/32/17/91/225321791.db2.gz	LLLVMPXZGMJTDZ-UHFFFAOYSA-N	1	2	341.440	1.988	10	70		EDIELO
C[C@@H](CNC(=O)NC[C@@](C)(O)c1ccc(F)cc1)[NH+]1CCOCC1	ZINC000159660544	533965832	/nfs/dbraw/zinc/96/58/32/533965832.db2.gz	PZSDFJOTAVNPIJ-SUMWQHHRSA-N	1	2	339.411	1.053	10	70		EDIELO
C[C@H](C[C@H](O)c1ccccc1)NC(=O)NC[C@@H](C)[NH+]1CCOCC1	ZINC000160226746	206284832	/nfs/dbraw/zinc/28/48/32/206284832.db2.gz	HUFJBJFWNXHZMB-INMHGKMJSA-N	1	2	335.448	1.519	10	70		EDIELO
CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](COC)C2CC2)nc[nH+]1	ZINC000160510746	206302256	/nfs/dbraw/zinc/30/22/56/206302256.db2.gz	HAGAWPIUYGBTRF-KBPBESRZSA-N	1	2	348.451	1.211	10	70		EDIELO
CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](COC)C2CC2)[nH+]cn1	ZINC000160510746	206302258	/nfs/dbraw/zinc/30/22/58/206302258.db2.gz	HAGAWPIUYGBTRF-KBPBESRZSA-N	1	2	348.451	1.211	10	70		EDIELO
CCn1cnnc1[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2)C1	ZINC000161301942	441983389	/nfs/dbraw/zinc/98/33/89/441983389.db2.gz	UBXQRTMBGUUGAT-CQSZACIVSA-N	1	2	338.419	1.653	10	70		EDIELO
CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2)C1	ZINC000161301942	441983393	/nfs/dbraw/zinc/98/33/93/441983393.db2.gz	UBXQRTMBGUUGAT-CQSZACIVSA-N	1	2	338.419	1.653	10	70		EDIELO
O=C(NCCCCNc1cccc[nH+]1)N[C@H]1CCc2ncnn2C1	ZINC000161013358	206323711	/nfs/dbraw/zinc/32/37/11/206323711.db2.gz	WXYRIKANYLZCDK-ZDUSSCGKSA-N	1	2	329.408	1.179	10	70		EDIELO
Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](C)C1CC1	ZINC000159843915	225288192	/nfs/dbraw/zinc/28/81/92/225288192.db2.gz	DOYLBWXKSJIKKB-NSHDSACASA-N	1	2	332.404	1.080	10	70		EDIELO
C[C@H](CNC(=O)c1cc(=O)[nH]c2cc(F)ccc21)[NH+]1CCOCC1	ZINC000159649261	225255249	/nfs/dbraw/zinc/25/52/49/225255249.db2.gz	UHKXWUZCVVHRPQ-LLVKDONJSA-N	1	2	333.363	1.118	10	70		EDIELO
O=C(N[C@H]1CCCn2ncnc21)N1CC[NH+](Cc2ccccn2)CC1	ZINC000160622779	441903258	/nfs/dbraw/zinc/90/32/58/441903258.db2.gz	ORFYFBLUAOVDNH-HNNXBMFYSA-N	1	2	341.419	1.035	10	70		EDIELO
Cc1cc(Br)cc(CO)c1OC[C@@H]1C[N@H+](C)CCO1	ZINC000160840041	225487330	/nfs/dbraw/zinc/48/73/30/225487330.db2.gz	QYZKQGMJZJWBRI-ZDUSSCGKSA-N	1	2	330.222	1.959	10	70		EDIELO
Cc1cc(Br)cc(CO)c1OC[C@@H]1C[N@@H+](C)CCO1	ZINC000160840041	225487332	/nfs/dbraw/zinc/48/73/32/225487332.db2.gz	QYZKQGMJZJWBRI-ZDUSSCGKSA-N	1	2	330.222	1.959	10	70		EDIELO
CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N(C)CC(F)(F)F)C1	ZINC000161346286	441989033	/nfs/dbraw/zinc/98/90/33/441989033.db2.gz	KUCQKDRRQORNBF-LLVKDONJSA-N	1	2	333.358	1.498	10	70		EDIELO
CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)N(C)CC(F)(F)F)C1	ZINC000161346286	441989039	/nfs/dbraw/zinc/98/90/39/441989039.db2.gz	KUCQKDRRQORNBF-LLVKDONJSA-N	1	2	333.358	1.498	10	70		EDIELO
COc1ccc(C[C@H](C)CNC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1	ZINC000159664189	533783096	/nfs/dbraw/zinc/78/30/96/533783096.db2.gz	MASKWUZKTGDBPC-HOTGVXAUSA-N	1	2	349.475	1.894	10	70		EDIELO
COc1ccc(CNC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1Cl	ZINC000159896176	441846444	/nfs/dbraw/zinc/84/64/44/441846444.db2.gz	QNHLGIRXEBPJGO-LBPRGKRZSA-N	1	2	341.839	1.869	10	70		EDIELO
CC(C)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1	ZINC000159729817	528615920	/nfs/dbraw/zinc/61/59/20/528615920.db2.gz	ILOOWZNHZKUQDD-ROUUACIJSA-N	1	2	334.460	1.453	10	70		EDIELO
COC(=O)[C@H](c1cccnc1)N1CC[NH+](Cc2cnc(C)s2)CC1	ZINC000159900182	533371682	/nfs/dbraw/zinc/37/16/82/533371682.db2.gz	MBBAVJGVNVTGJC-INIZCTEOSA-N	1	2	346.456	1.878	10	70		EDIELO
NC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000161139101	441962671	/nfs/dbraw/zinc/96/26/71/441962671.db2.gz	CFLTWCDRFUOUCZ-MNOVXSKESA-N	1	2	331.294	1.008	10	70		EDIELO
NC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1	ZINC000161139101	441962677	/nfs/dbraw/zinc/96/26/77/441962677.db2.gz	CFLTWCDRFUOUCZ-MNOVXSKESA-N	1	2	331.294	1.008	10	70		EDIELO
COc1ccc(C[C@H](C)CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1	ZINC000159663955	533782743	/nfs/dbraw/zinc/78/27/43/533782743.db2.gz	MASKWUZKTGDBPC-JKSUJKDBSA-N	1	2	349.475	1.894	10	70		EDIELO
C[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1nnc2n1CCCC2	ZINC000160246682	441867919	/nfs/dbraw/zinc/86/79/19/441867919.db2.gz	JHRTUODBORVEDL-GFCCVEGCSA-N	1	2	343.435	1.636	10	70		EDIELO