smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2[nH]c(=S)n(C[C@H](O)COc3ccc(Br)cc3)c2c(=O)[n-]c1=O	ZINC000002262175	555763731	/nfs/dbraw/zinc/76/37/31/555763731.db2.gz	HDPFVOWCXUJQOM-VIFPVBQESA-N	-1	3	427.280	0.914	50	0		ICAAHM
CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000002469183	562928118	/nfs/dbraw/zinc/92/81/18/562928118.db2.gz	QHLKAYNUUBGSOE-CQSZACIVSA-N	-1	3	434.474	0.614	50	0		ICAAHM
CC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000002469184	562928097	/nfs/dbraw/zinc/92/80/97/562928097.db2.gz	QHLKAYNUUBGSOE-AWEZNQCLSA-N	-1	3	434.474	0.614	50	0		ICAAHM
CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000002469209	569403995	/nfs/dbraw/zinc/40/39/95/569403995.db2.gz	XFOIZJKVVNNQDC-ZDUSSCGKSA-N	-1	3	436.490	0.810	50	0		ICAAHM
CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000002469211	569403980	/nfs/dbraw/zinc/40/39/80/569403980.db2.gz	XFOIZJKVVNNQDC-CYBMUJFWSA-N	-1	3	436.490	0.810	50	0		ICAAHM
NC(=O)c1c2c(sc1NC(=O)COC(=O)Cn1[n-]c(=O)c3ccccc3c1=O)CCC2	ZINC000002640464	569413693	/nfs/dbraw/zinc/41/36/93/569413693.db2.gz	LOZHYPGRIIZFHQ-UHFFFAOYSA-N	-1	3	442.453	0.521	50	0		ICAAHM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3[n-]c(=O)c4ccccc4c3=O)CC2)cc1	ZINC000002645355	569414090	/nfs/dbraw/zinc/41/40/90/569414090.db2.gz	LFXGDTSSUVDWIL-UHFFFAOYSA-N	-1	3	442.497	0.531	50	0		ICAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000002646052	569414207	/nfs/dbraw/zinc/41/42/07/569414207.db2.gz	XXWJCKRGQAYFBC-UHFFFAOYSA-N	-1	3	428.470	0.223	50	0		ICAAHM
COc1ccc(C(=O)Nc2cccc3c2C(=O)[N-]C3=O)cc1S(=O)(=O)N1CCOCC1	ZINC000002659965	562929667	/nfs/dbraw/zinc/92/96/67/562929667.db2.gz	IAAPSLPYPMWVLQ-UHFFFAOYSA-N	-1	3	445.453	0.852	50	0		ICAAHM
Cc1ccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000002863470	555846061	/nfs/dbraw/zinc/84/60/61/555846061.db2.gz	PJHITHWDFOUUGD-HNNXBMFYSA-N	-1	3	432.380	0.081	50	0		ICAAHM
Cc1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000002863471	555846105	/nfs/dbraw/zinc/84/61/05/555846105.db2.gz	PJHITHWDFOUUGD-OAHLLOKOSA-N	-1	3	432.380	0.081	50	0		ICAAHM
CC(C)[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1)C(=O)NC(N)=O	ZINC000003428591	562935701	/nfs/dbraw/zinc/93/57/01/562935701.db2.gz	REPLBLRIBPSFFA-NSHDSACASA-N	-1	3	425.385	0.904	50	0		ICAAHM
CC(C)[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1)C(=O)NC(N)=O	ZINC000003428593	562935709	/nfs/dbraw/zinc/93/57/09/562935709.db2.gz	REPLBLRIBPSFFA-LLVKDONJSA-N	-1	3	425.385	0.904	50	0		ICAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000003459367	569451894	/nfs/dbraw/zinc/45/18/94/569451894.db2.gz	SZYMUXFLAYVIMM-UHFFFAOYSA-N	-1	3	434.499	0.284	50	0		ICAAHM
COc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)N2CCCC2)c1	ZINC000004035298	562941061	/nfs/dbraw/zinc/94/10/61/562941061.db2.gz	NYYWQQYMLGAJJS-UHFFFAOYSA-N	-1	3	442.501	0.958	50	0		ICAAHM
O=C(CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccccc1)NC[C@@H]1CCCO1	ZINC000004056952	562941257	/nfs/dbraw/zinc/94/12/57/562941257.db2.gz	BSSFUKWBRRXHLK-HNNXBMFYSA-N	-1	3	442.501	0.622	50	0		ICAAHM
O=C(CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccccc1)NC[C@H]1CCCO1	ZINC000004056953	562941301	/nfs/dbraw/zinc/94/13/01/562941301.db2.gz	BSSFUKWBRRXHLK-OAHLLOKOSA-N	-1	3	442.501	0.622	50	0		ICAAHM
COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)C1	ZINC000004119221	562942204	/nfs/dbraw/zinc/94/22/04/562942204.db2.gz	NAKOIQBLVAGKDH-AWEZNQCLSA-N	-1	3	436.490	0.097	50	0		ICAAHM
COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)C1	ZINC000004119222	562942177	/nfs/dbraw/zinc/94/21/77/562942177.db2.gz	NAKOIQBLVAGKDH-CQSZACIVSA-N	-1	3	436.490	0.097	50	0		ICAAHM
COc1cc2c(=O)c(-c3ccc([O-])cc3)coc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004349794	291313643	/nfs/dbraw/zinc/31/36/43/291313643.db2.gz	OZBAVEKZGSOMOJ-MIUGBVLSSA-N	-1	3	446.408	0.353	50	0	biogenic,in-vitro	ICAAHM
CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000004533882	555999958	/nfs/dbraw/zinc/99/99/58/555999958.db2.gz	WLDVPWVIEXLOPP-YXWQFLTLSA-N	-1	3	432.587	0.329	50	0		ICAAHM
COc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)N2CCCC2)cc1	ZINC000006530834	562947203	/nfs/dbraw/zinc/94/72/03/562947203.db2.gz	BLIXWZFFENEIAN-UHFFFAOYSA-N	-1	3	442.501	0.958	50	0	aggregator	ICAAHM
COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)c1	ZINC000008671083	562960774	/nfs/dbraw/zinc/96/07/74/562960774.db2.gz	BKTJMVLGAXUUAB-CQSZACIVSA-N	-1	3	436.490	0.097	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2Cl)C1	ZINC000008680460	569470054	/nfs/dbraw/zinc/47/00/54/569470054.db2.gz	HRVHEMZOTSRPGU-ZDUSSCGKSA-N	-1	3	440.909	0.742	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1	ZINC000008680461	569470026	/nfs/dbraw/zinc/47/00/26/569470026.db2.gz	HRVHEMZOTSRPGU-CYBMUJFWSA-N	-1	3	440.909	0.742	50	0		ICAAHM
COc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)c1	ZINC000008680462	562961545	/nfs/dbraw/zinc/96/15/45/562961545.db2.gz	BKTJMVLGAXUUAB-AWEZNQCLSA-N	-1	3	436.490	0.097	50	0		ICAAHM
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])NCCc1ccccc1	ZINC000008687227	562963022	/nfs/dbraw/zinc/96/30/22/562963022.db2.gz	MLRXVAXGQIMHCA-UHFFFAOYSA-N	-1	3	448.497	0.929	50	0		ICAAHM
Cn1c2ncn(CCCC(=O)OCc3nc4ccsc4c(=O)[n-]3)c2c(=O)n(C)c1=O	ZINC000008746549	556845264	/nfs/dbraw/zinc/84/52/64/556845264.db2.gz	SMTPWRLFFRXKQA-UHFFFAOYSA-N	-1	3	430.446	0.255	50	0		ICAAHM
COc1ccc([C@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)N2CCCCC2)cc1	ZINC000008751007	569473427	/nfs/dbraw/zinc/47/34/27/569473427.db2.gz	GSVZGLUAHBRQSY-KRWDZBQOSA-N	-1	3	436.534	0.598	50	0		ICAAHM
COc1ccc([C@@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)N2CCCCC2)cc1	ZINC000008751010	569473390	/nfs/dbraw/zinc/47/33/90/569473390.db2.gz	GSVZGLUAHBRQSY-QGZVFWFLSA-N	-1	3	436.534	0.598	50	0		ICAAHM
COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)cc1	ZINC000008828549	562964531	/nfs/dbraw/zinc/96/45/31/562964531.db2.gz	BNFOOOUAJOEZSD-UHFFFAOYSA-N	-1	3	436.490	0.634	50	0		ICAAHM
O=C(COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)Nc1ccccc1C(=O)NC1CC1	ZINC000008882652	569482995	/nfs/dbraw/zinc/48/29/95/569482995.db2.gz	AXCRMBAAPITNHY-UHFFFAOYSA-N	-1	3	436.424	0.764	50	0		ICAAHM
C[C@@H]1CCC[C@H](NC(=O)NC(=O)COC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)[C@@H]1C	ZINC000009032814	569497172	/nfs/dbraw/zinc/49/71/72/569497172.db2.gz	GNAGUJGRUYGLCD-IOASZLSFSA-N	-1	3	430.461	0.884	50	0		ICAAHM
C[C@@H]1CCC[C@@H](NC(=O)NC(=O)COC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)[C@@H]1C	ZINC000009032816	569497140	/nfs/dbraw/zinc/49/71/40/569497140.db2.gz	GNAGUJGRUYGLCD-XJKCOSOUSA-N	-1	3	430.461	0.884	50	0		ICAAHM
CCOC(=O)[N-]C(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C	ZINC000009093282	569501230	/nfs/dbraw/zinc/50/12/30/569501230.db2.gz	FKILAWROCIYMPR-UHFFFAOYSA-N	-1	3	440.478	0.572	50	0		ICAAHM
CCOC([O-])=NC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C	ZINC000009093282	569501229	/nfs/dbraw/zinc/50/12/29/569501229.db2.gz	FKILAWROCIYMPR-UHFFFAOYSA-N	-1	3	440.478	0.572	50	0		ICAAHM
CN(C)S(=O)(=O)c1ccc(SCC(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)nc1	ZINC000009127059	569505109	/nfs/dbraw/zinc/50/51/09/569505109.db2.gz	HGRAOFDRNJSTER-UHFFFAOYSA-N	-1	3	441.535	0.710	50	0		ICAAHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	ZINC000009153997	569508197	/nfs/dbraw/zinc/50/81/97/569508197.db2.gz	RUQFGANKHSJAMO-SNVBAGLBSA-N	-1	3	435.289	0.424	50	0		ICAAHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1	ZINC000009153998	569508207	/nfs/dbraw/zinc/50/82/07/569508207.db2.gz	RUQFGANKHSJAMO-JTQLQIEISA-N	-1	3	435.289	0.424	50	0		ICAAHM
COc1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)cc1S(N)(=O)=O	ZINC000009186302	562967976	/nfs/dbraw/zinc/96/79/76/562967976.db2.gz	GFJQLIKGZVRDGL-UHFFFAOYSA-N	-1	3	431.467	0.789	50	0		ICAAHM
CCOC(=O)C1=C(COC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)NC(=O)N[C@@H]1C	ZINC000009186307	562968038	/nfs/dbraw/zinc/96/80/38/562968038.db2.gz	XRQVSSPSGDXKAU-MNOVXSKESA-N	-1	3	443.453	0.554	50	0		ICAAHM
CCOC(=O)C1=C(COC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)NC(=O)N[C@H]1C	ZINC000009186308	562968045	/nfs/dbraw/zinc/96/80/45/562968045.db2.gz	XRQVSSPSGDXKAU-QWRGUYRKSA-N	-1	3	443.453	0.554	50	0		ICAAHM
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)Cn1[n-]c(=O)c2ccccc2c1=O	ZINC000009284721	132312469	/nfs/dbraw/zinc/31/24/69/132312469.db2.gz	NTHPXWJMYIKBGC-UHFFFAOYSA-N	-1	3	436.424	0.997	50	0		ICAAHM
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(COC)o2)cc1	ZINC000009416801	562970367	/nfs/dbraw/zinc/97/03/67/562970367.db2.gz	ZJVDIRBVFGOAPS-UHFFFAOYSA-N	-1	3	428.467	0.752	50	0		ICAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000009463340	569537403	/nfs/dbraw/zinc/53/74/03/569537403.db2.gz	FZCIEVHKEQDOQX-QGZVFWFLSA-N	-1	3	430.486	0.661	50	0		ICAAHM
O=C(COC(=O)c1cc(=O)[n-]c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000009491018	562971961	/nfs/dbraw/zinc/97/19/61/562971961.db2.gz	FJISIZFABSEVMQ-UHFFFAOYSA-N	-1	3	436.446	0.033	50	0		ICAAHM
NS(=O)(=O)c1ccc2nc(NC(=O)Cn3[n-]c(=O)c4ccccc4c3=O)sc2c1	ZINC000009590900	569550058	/nfs/dbraw/zinc/55/00/58/569550058.db2.gz	KJXHWDDENVUOIE-UHFFFAOYSA-N	-1	3	431.455	0.586	50	0		ICAAHM
O=C(COC(=O)c1c[nH]c(=O)[n-]c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000009612490	562974118	/nfs/dbraw/zinc/97/41/18/562974118.db2.gz	RRFSRKAUGYQIJU-UHFFFAOYSA-N	-1	3	436.446	0.033	50	0		ICAAHM
CCOC(=O)C1=C(COC(=O)CC[N-]S(=O)(=O)c2cccs2)NC(=O)N[C@@H]1C	ZINC000009634193	569554413	/nfs/dbraw/zinc/55/44/13/569554413.db2.gz	XJRKLMQISAOHLE-SNVBAGLBSA-N	-1	3	431.492	0.478	50	0		ICAAHM
CCOC(=O)C1=C(COC(=O)CC[N-]S(=O)(=O)c2cccs2)NC(=O)N[C@H]1C	ZINC000009634194	569554417	/nfs/dbraw/zinc/55/44/17/569554417.db2.gz	XJRKLMQISAOHLE-JTQLQIEISA-N	-1	3	431.492	0.478	50	0		ICAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000009716194	569563134	/nfs/dbraw/zinc/56/31/34/569563134.db2.gz	BWCRCRCOTBXKBA-UHFFFAOYSA-N	-1	3	444.469	0.349	50	0		ICAAHM
S=C(NCc1ccccc1)NN=c1nc(N2CCOCC2)nc(N2CCOCC2)[n-]1	ZINC000009762057	132328416	/nfs/dbraw/zinc/32/84/16/132328416.db2.gz	UJKQLMXVMIIVNV-UHFFFAOYSA-N	-1	3	430.538	0.536	50	0		ICAAHM
O=C(CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)N1CCSCC1	ZINC000012323335	526501367	/nfs/dbraw/zinc/50/13/67/526501367.db2.gz	LAYCLDOEYNJFSG-UHFFFAOYSA-N	-1	3	441.517	0.874	50	0		ICAAHM
O=S(=O)([N-]CCNS(=O)(=O)c1cccc2nsnc21)c1cccc2nonc21	ZINC000012406610	527217962	/nfs/dbraw/zinc/21/79/62/527217962.db2.gz	XIQXFMSFMNNANI-UHFFFAOYSA-N	-1	3	440.488	0.484	50	0		ICAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC(C(=O)NCc2ccccc2)CC1	ZINC000012739831	527364342	/nfs/dbraw/zinc/36/43/42/527364342.db2.gz	PLIZHZPBYPHEPJ-UHFFFAOYSA-N	-1	3	449.305	0.854	50	0		ICAAHM
CN1CCN(S(=O)(=O)c2cccc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)c2)CC1	ZINC000012794524	523917064	/nfs/dbraw/zinc/91/70/64/523917064.db2.gz	BVRNVECDZRVNEL-UHFFFAOYSA-N	-1	3	449.533	0.522	50	0		ICAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	ZINC000012797426	526562808	/nfs/dbraw/zinc/56/28/08/526562808.db2.gz	BJVCMUOQCCVKPF-KRWDZBQOSA-N	-1	3	434.518	0.387	50	0		ICAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	ZINC000012797431	526575153	/nfs/dbraw/zinc/57/51/53/526575153.db2.gz	BJVCMUOQCCVKPF-QGZVFWFLSA-N	-1	3	434.518	0.387	50	0		ICAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000012899374	526562748	/nfs/dbraw/zinc/56/27/48/526562748.db2.gz	PCPWSJIQUIGWPS-ZDUSSCGKSA-N	-1	3	448.423	0.527	50	0		ICAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1	ZINC000012899382	526574546	/nfs/dbraw/zinc/57/45/46/526574546.db2.gz	PCPWSJIQUIGWPS-CYBMUJFWSA-N	-1	3	448.423	0.527	50	0		ICAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	ZINC000012899563	526563863	/nfs/dbraw/zinc/56/38/63/526563863.db2.gz	FZCIEVHKEQDOQX-KRWDZBQOSA-N	-1	3	430.486	0.661	50	0		ICAAHM
CCOC(=O)C1=C(COC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C)c2)NC(=O)NC1	ZINC000012906590	520522940	/nfs/dbraw/zinc/52/29/40/520522940.db2.gz	DDBLZQINLHGZHO-UHFFFAOYSA-N	-1	3	431.854	0.535	50	0		ICAAHM
O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC(C(=O)N2CCCCC2)CC1	ZINC000012914537	527364383	/nfs/dbraw/zinc/36/43/83/527364383.db2.gz	LESOHBQJAMKRDX-UHFFFAOYSA-N	-1	3	427.299	0.550	50	0		ICAAHM
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1	ZINC000012920214	526943988	/nfs/dbraw/zinc/94/39/88/526943988.db2.gz	DXEANJLLNANKGG-OLZOCXBDSA-N	-1	3	436.939	0.714	50	0		ICAAHM
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1	ZINC000012920218	527062430	/nfs/dbraw/zinc/06/24/30/527062430.db2.gz	DXEANJLLNANKGG-STQMWFEESA-N	-1	3	436.939	0.714	50	0		ICAAHM
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1	ZINC000012920222	526943881	/nfs/dbraw/zinc/94/38/81/526943881.db2.gz	DXEANJLLNANKGG-CHWSQXEVSA-N	-1	3	436.939	0.714	50	0		ICAAHM
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1	ZINC000012920229	527062848	/nfs/dbraw/zinc/06/28/48/527062848.db2.gz	DXEANJLLNANKGG-QWHCGFSZSA-N	-1	3	436.939	0.714	50	0		ICAAHM
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCn1[n-]c(=O)c2ccccc2c1=O	ZINC000013000145	568898169	/nfs/dbraw/zinc/89/81/69/568898169.db2.gz	UOOMUIHRBVMZCX-UHFFFAOYSA-N	-1	3	442.497	0.920	50	0		ICAAHM
O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000013014732	556436947	/nfs/dbraw/zinc/43/69/47/556436947.db2.gz	MDGUOSRLYRCBGC-UHFFFAOYSA-N	-1	3	436.490	0.607	50	0		ICAAHM
CCOC(=O)[N-]C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	ZINC000013039960	556445677	/nfs/dbraw/zinc/44/56/77/556445677.db2.gz	UETHIKOVVHTQDQ-UHFFFAOYSA-N	-1	3	427.479	0.427	50	0		ICAAHM
CCOC([O-])=NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	ZINC000013039960	556445675	/nfs/dbraw/zinc/44/56/75/556445675.db2.gz	UETHIKOVVHTQDQ-UHFFFAOYSA-N	-1	3	427.479	0.427	50	0		ICAAHM
CN(C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1	ZINC000013865637	556322026	/nfs/dbraw/zinc/32/20/26/556322026.db2.gz	MWINOVAFIYNYGA-CYBMUJFWSA-N	-1	3	433.515	0.846	50	0		ICAAHM
CN(C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)[C@H]1CCS(=O)(=O)C1	ZINC000013865639	556322219	/nfs/dbraw/zinc/32/22/19/556322219.db2.gz	MWINOVAFIYNYGA-ZDUSSCGKSA-N	-1	3	433.515	0.846	50	0		ICAAHM
O=C(Nc1c[nH]c(=O)[n-]c1=O)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O	ZINC000013881492	556326334	/nfs/dbraw/zinc/32/63/34/556326334.db2.gz	ACNLATLVHSOAEM-UHFFFAOYSA-N	-1	3	445.347	0.123	50	0		ICAAHM
O=C(CN1CCN(C(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1)NC1CC1	ZINC000014111593	556369889	/nfs/dbraw/zinc/36/98/89/556369889.db2.gz	TYKRHUIMKNRVNB-UHFFFAOYSA-N	-1	3	430.477	0.056	50	0		ICAAHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(CC(=O)NC2CC2)CC1	ZINC000014118220	556371471	/nfs/dbraw/zinc/37/14/71/556371471.db2.gz	DAKXMFYMDAOEDT-QGZVFWFLSA-N	-1	3	428.580	0.474	50	0		ICAAHM
CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(CC(=O)NC2CC2)CC1	ZINC000014118223	556371533	/nfs/dbraw/zinc/37/15/33/556371533.db2.gz	DAKXMFYMDAOEDT-KRWDZBQOSA-N	-1	3	428.580	0.474	50	0		ICAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1	ZINC000014183462	132356471	/nfs/dbraw/zinc/35/64/71/132356471.db2.gz	CKHLHCFYMMWJCB-AWEZNQCLSA-N	-1	3	444.879	0.523	50	0		ICAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1	ZINC000014183463	132356503	/nfs/dbraw/zinc/35/65/03/132356503.db2.gz	CKHLHCFYMMWJCB-CQSZACIVSA-N	-1	3	444.879	0.523	50	0		ICAAHM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1	ZINC000014372488	526970868	/nfs/dbraw/zinc/97/08/68/526970868.db2.gz	OYFAZQATEHOTGA-UHFFFAOYSA-N	-1	3	444.517	0.804	50	0		ICAAHM
CCOc1ccc(NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc1S(=O)(=O)N(C)C	ZINC000015094877	556503102	/nfs/dbraw/zinc/50/31/02/556503102.db2.gz	DNPRFFNBEMAOHQ-UHFFFAOYSA-N	-1	3	446.485	0.978	50	0		ICAAHM
COc1ccc(CCNC(=O)CSc2nc3c(cnn3CCO)c(=O)[n-]2)cc1OC	ZINC000015881240	568855055	/nfs/dbraw/zinc/85/50/55/568855055.db2.gz	IUEADQXQFGCGKF-UHFFFAOYSA-N	-1	3	433.490	0.992	50	0		ICAAHM
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)NCCO)ccc1OCC)[n-]c2=O	ZINC000015979779	556570607	/nfs/dbraw/zinc/57/06/07/556570607.db2.gz	YVPFDZKAMRTUER-UHFFFAOYSA-N	-1	3	435.506	0.945	50	0		ICAAHM
CCCn1c(=O)[n-]nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000016045613	521614251	/nfs/dbraw/zinc/61/42/51/521614251.db2.gz	KCIHHBXOYHXYTJ-UHFFFAOYSA-N	-1	3	441.535	0.733	50	0		ICAAHM
Nc1ccc2c(c1)C[C@]1(C(=O)[N-]C(=O)NC1=O)[C@H]1CN(Cc3ccc4c(c3)OCO4)CCN21	ZINC000016995676	556652518	/nfs/dbraw/zinc/65/25/18/556652518.db2.gz	GQJWNAZQILDHOO-LJQANCHMSA-N	-1	3	449.467	0.801	50	0		ICAAHM
Nc1ccc2c(c1)C[C@@]1(C(=O)[N-]C(=O)NC1=O)[C@H]1CN(Cc3ccc4c(c3)OCO4)CCN21	ZINC000016995676	556652516	/nfs/dbraw/zinc/65/25/16/556652516.db2.gz	GQJWNAZQILDHOO-LJQANCHMSA-N	-1	3	449.467	0.801	50	0		ICAAHM
Cc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)N2CCOCC2)c1	ZINC000017135562	569174411	/nfs/dbraw/zinc/17/44/11/569174411.db2.gz	PSTLLQVZRPNGAR-UHFFFAOYSA-N	-1	3	442.501	0.494	50	0		ICAAHM
O=C(CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccccc1)N1CCOCC1	ZINC000017192532	557037264	/nfs/dbraw/zinc/03/72/64/557037264.db2.gz	PRSHXAHXSJDLQQ-UHFFFAOYSA-N	-1	3	428.474	0.186	50	0		ICAAHM
CC[C@@]1(C)NC(=O)N([N-]C(=O)COC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)C1=O	ZINC000018553514	557838875	/nfs/dbraw/zinc/83/88/75/557838875.db2.gz	RJOFCMZVOJQDDE-HXUWFJFHSA-N	-1	3	427.417	0.251	50	0		ICAAHM
CC[C@]1(C)NC(=O)N([N-]C(=O)COC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)C1=O	ZINC000018553517	557838820	/nfs/dbraw/zinc/83/88/20/557838820.db2.gz	RJOFCMZVOJQDDE-FQEVSTJZSA-N	-1	3	427.417	0.251	50	0		ICAAHM
Cc1cc(NC(=O)COC(=O)[C@H](C)[N-]S(=O)(=O)c2cccc3nsnc32)no1	ZINC000019076961	568637141	/nfs/dbraw/zinc/63/71/41/568637141.db2.gz	PJLANCMLXHIUJC-VIFPVBQESA-N	-1	3	425.448	0.836	50	0		ICAAHM
COc1ccc(I)cc1S(=O)(=O)[N-]CCN1CCOCC1	ZINC000019618995	556831619	/nfs/dbraw/zinc/83/16/19/556831619.db2.gz	JMQKJEHUGYHWSX-UHFFFAOYSA-N	-1	3	426.276	0.910	50	0		ICAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@]2(S1)c1cc(C)ccc1N(CCN1CCOCC1)C2=O	ZINC000019874675	556935781	/nfs/dbraw/zinc/93/57/81/556935781.db2.gz	LGPJCXLRTVLOMC-FQEVSTJZSA-N	-1	3	431.518	0.829	50	0		ICAAHM
CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(S1)c1cc(C)ccc1N(CCN1CCOCC1)C2=O	ZINC000019874677	556935726	/nfs/dbraw/zinc/93/57/26/556935726.db2.gz	LGPJCXLRTVLOMC-HXUWFJFHSA-N	-1	3	431.518	0.829	50	0		ICAAHM
COc1ccc(C(=O)/C=c2\c(CC(=O)c3ccc([O-])c(OC)c3)nc3nnc(N)n32)cc1O	ZINC000019879621	569257067	/nfs/dbraw/zinc/25/70/67/569257067.db2.gz	WBCAORHOFAMOAD-GXDHUFHOSA-N	-1	3	449.423	0.943	50	0		ICAAHM
CCOC(=O)[N-]C(=O)CSc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1	ZINC000020102682	556980657	/nfs/dbraw/zinc/98/06/57/556980657.db2.gz	VMLAZHQAARUGOI-UHFFFAOYSA-N	-1	3	444.524	0.588	50	0		ICAAHM
CCOC([O-])=NC(=O)CSc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1	ZINC000020102682	556980655	/nfs/dbraw/zinc/98/06/55/556980655.db2.gz	VMLAZHQAARUGOI-UHFFFAOYSA-N	-1	3	444.524	0.588	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1	ZINC000020154237	525401314	/nfs/dbraw/zinc/40/13/14/525401314.db2.gz	RJASVEPWRFIINJ-UHFFFAOYSA-N	-1	3	440.909	0.742	50	0		ICAAHM
CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)CC2)c1	ZINC000020154244	556993101	/nfs/dbraw/zinc/99/31/01/556993101.db2.gz	LVGXOMJHDRDOJY-UHFFFAOYSA-N	-1	3	434.474	0.614	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1	ZINC000020154265	569353592	/nfs/dbraw/zinc/35/35/92/569353592.db2.gz	VMPGUWBASPLOPK-AWEZNQCLSA-N	-1	3	448.545	0.910	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1	ZINC000020154267	569353567	/nfs/dbraw/zinc/35/35/67/569353567.db2.gz	VMPGUWBASPLOPK-CQSZACIVSA-N	-1	3	448.545	0.910	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1	ZINC000020154469	569353565	/nfs/dbraw/zinc/35/35/65/569353565.db2.gz	YANOKHOKQSVSEQ-LLVKDONJSA-N	-1	3	436.446	0.140	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCO3)C1	ZINC000020154471	569353557	/nfs/dbraw/zinc/35/35/57/569353557.db2.gz	YANOKHOKQSVSEQ-NSHDSACASA-N	-1	3	436.446	0.140	50	0		ICAAHM
O=C(CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCOCC1	ZINC000020285897	527085162	/nfs/dbraw/zinc/08/51/62/527085162.db2.gz	CLDKKHUNYFSMKV-UHFFFAOYSA-N	-1	3	446.464	0.325	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1	ZINC000020489269	525402862	/nfs/dbraw/zinc/40/28/62/525402862.db2.gz	UUNOCXUNNIWIJR-UHFFFAOYSA-N	-1	3	428.898	0.410	50	0		ICAAHM
COC(=O)c1c2c(sc1[N-]C(=O)C(=O)NCCN1CCOCC1)COC(C)(C)C2	ZINC000020573741	521784557	/nfs/dbraw/zinc/78/45/57/521784557.db2.gz	URSVMJPDZGZQGS-UHFFFAOYSA-N	-1	3	425.507	0.773	50	0		ICAAHM
NS(=O)(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1	ZINC000020583703	527312356	/nfs/dbraw/zinc/31/23/56/527312356.db2.gz	WEYSOIRIDXWWCF-UHFFFAOYSA-N	-1	3	440.528	0.667	50	0		ICAAHM
CCN1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N4CCOCC4)cc3c2[O-])CC1	ZINC000020663691	521668628	/nfs/dbraw/zinc/66/86/28/521668628.db2.gz	DJDXFVAQUSLPIU-UHFFFAOYSA-N	-1	3	434.518	0.327	50	0		ICAAHM
CCN1CCN(C(=O)c2c[n-]c3ccc(S(=O)(=O)N4CCOCC4)cc3c2=O)CC1	ZINC000020663691	521668624	/nfs/dbraw/zinc/66/86/24/521668624.db2.gz	DJDXFVAQUSLPIU-UHFFFAOYSA-N	-1	3	434.518	0.327	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2cccs2)C1	ZINC000020716474	525402042	/nfs/dbraw/zinc/40/20/42/525402042.db2.gz	HVADMJZQGZZADX-GFCCVEGCSA-N	-1	3	426.520	0.193	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2cccs2)C1	ZINC000020716478	525401635	/nfs/dbraw/zinc/40/16/35/525401635.db2.gz	HVADMJZQGZZADX-LBPRGKRZSA-N	-1	3	426.520	0.193	50	0		ICAAHM
CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCN3CCOCC3)c([O-])c2c1	ZINC000020754031	520810434	/nfs/dbraw/zinc/81/04/34/520810434.db2.gz	JSPNKQGSTFPKNC-UHFFFAOYSA-N	-1	3	436.534	0.621	50	0		ICAAHM
CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)c1	ZINC000020851345	518440270	/nfs/dbraw/zinc/44/02/70/518440270.db2.gz	LSISJYAFZOHFDX-CQSZACIVSA-N	-1	3	434.474	0.614	50	0		ICAAHM
CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[n-]c3=O)C2)c1	ZINC000020851348	518443045	/nfs/dbraw/zinc/44/30/45/518443045.db2.gz	LSISJYAFZOHFDX-AWEZNQCLSA-N	-1	3	434.474	0.614	50	0		ICAAHM
COCCNC(=O)NC(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000021687526	523903971	/nfs/dbraw/zinc/90/39/71/523903971.db2.gz	KVXLGADFXNLGAZ-UHFFFAOYSA-N	-1	3	442.277	0.287	50	0		ICAAHM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccc(N2CCN(C)CC2)nc1	ZINC000022324629	526971478	/nfs/dbraw/zinc/97/14/78/526971478.db2.gz	DBLWAUIPUZVNON-UHFFFAOYSA-N	-1	3	441.536	0.633	50	0		ICAAHM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000022411305	526971268	/nfs/dbraw/zinc/97/12/68/526971268.db2.gz	PZWNEPHOXZLWFZ-UHFFFAOYSA-N	-1	3	447.580	0.999	50	0		ICAAHM
O=C(Cn1[n-]c(=O)c2ccccc2c1=O)N1CCN(CC(=O)N2CCCCCC2)CC1	ZINC000023417620	557091830	/nfs/dbraw/zinc/09/18/30/557091830.db2.gz	GRZGEBTXYRHOJG-UHFFFAOYSA-N	-1	3	427.505	0.649	50	0		ICAAHM
O=C(c1ccc2n[n-]nc2c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000023908506	557125249	/nfs/dbraw/zinc/12/52/49/557125249.db2.gz	OXRRJRQTVXWBDA-UHFFFAOYSA-N	-1	3	429.458	0.876	50	0		ICAAHM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccccc1NS(C)(=O)=O	ZINC000024893768	557177330	/nfs/dbraw/zinc/17/73/30/557177330.db2.gz	DFAWNPUNACZBQS-UHFFFAOYSA-N	-1	3	435.506	0.858	50	0		ICAAHM
CN(CC(=O)NC(C)(C)C)C(=O)CN1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000025065647	557193967	/nfs/dbraw/zinc/19/39/67/557193967.db2.gz	SKUGVGGMROHREI-UHFFFAOYSA-N	-1	3	430.596	0.864	50	0		ICAAHM
Cn1c(CSc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)cc(=O)n(C)c1=O	ZINC000025150043	557196936	/nfs/dbraw/zinc/19/69/36/557196936.db2.gz	ZMLHMIGYESSVCP-UHFFFAOYSA-N	-1	3	428.474	0.382	50	0		ICAAHM
COc1ccc([C@@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c2nccn2C)cc1	ZINC000029133426	556468218	/nfs/dbraw/zinc/46/82/18/556468218.db2.gz	ROMUTNNYTBQDLH-OAHLLOKOSA-N	-1	3	448.277	0.947	50	0		ICAAHM
COc1ccc([C@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c2nccn2C)cc1	ZINC000029133428	556468167	/nfs/dbraw/zinc/46/81/67/556468167.db2.gz	ROMUTNNYTBQDLH-HNNXBMFYSA-N	-1	3	448.277	0.947	50	0		ICAAHM
CC1CCN([C@@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2cccs2)CC1	ZINC000031075531	569453166	/nfs/dbraw/zinc/45/31/66/569453166.db2.gz	VBTFYSZDBWLBQX-AWEZNQCLSA-N	-1	3	426.564	0.897	50	0		ICAAHM
CC1CCN([C@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2cccs2)CC1	ZINC000031075534	569453184	/nfs/dbraw/zinc/45/31/84/569453184.db2.gz	VBTFYSZDBWLBQX-CQSZACIVSA-N	-1	3	426.564	0.897	50	0		ICAAHM
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occ(-c3ccc([O-])cc3)c(=O)c12	ZINC000031155618	291313351	/nfs/dbraw/zinc/31/33/51/291313351.db2.gz	KSVVGBSBNPMXJF-RECXWPGBSA-N	-1	3	446.408	0.353	50	0	biogenic,in-vitro	ICAAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)N2CCOCC2)CC1	ZINC000031281106	569455552	/nfs/dbraw/zinc/45/55/52/569455552.db2.gz	ZNQIINXXIRMTGD-AWEZNQCLSA-N	-1	3	427.498	0.590	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCc2ccccc2)C1	ZINC000031807773	569457617	/nfs/dbraw/zinc/45/76/17/569457617.db2.gz	GEJOYLMGVYIEFI-MRXNPFEDSA-N	-1	3	434.518	0.521	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCCc2ccccc2)C1	ZINC000031807778	569457573	/nfs/dbraw/zinc/45/75/73/569457573.db2.gz	GEJOYLMGVYIEFI-INIZCTEOSA-N	-1	3	434.518	0.521	50	0		ICAAHM
COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)CC1	ZINC000031808001	569457590	/nfs/dbraw/zinc/45/75/90/569457590.db2.gz	XHYSSNYJLJWCOA-UHFFFAOYSA-N	-1	3	436.490	0.097	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(F)cc2)C1	ZINC000031809137	569457653	/nfs/dbraw/zinc/45/76/53/569457653.db2.gz	WRXSHFJLZUZSQV-CQSZACIVSA-N	-1	3	438.481	0.270	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(F)cc2)C1	ZINC000031809142	569457719	/nfs/dbraw/zinc/45/77/19/569457719.db2.gz	WRXSHFJLZUZSQV-AWEZNQCLSA-N	-1	3	438.481	0.270	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1	ZINC000031809972	569457649	/nfs/dbraw/zinc/45/76/49/569457649.db2.gz	FGYOCQGWMMOXDR-CYBMUJFWSA-N	-1	3	440.909	0.742	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1	ZINC000031809976	569457731	/nfs/dbraw/zinc/45/77/31/569457731.db2.gz	FGYOCQGWMMOXDR-ZDUSSCGKSA-N	-1	3	440.909	0.742	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(Cl)c2)C1	ZINC000031810289	569457679	/nfs/dbraw/zinc/45/76/79/569457679.db2.gz	XSIMLUWDDSNLQH-CYBMUJFWSA-N	-1	3	440.909	0.742	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(Cl)c2)C1	ZINC000031810294	569457710	/nfs/dbraw/zinc/45/77/10/569457710.db2.gz	XSIMLUWDDSNLQH-ZDUSSCGKSA-N	-1	3	440.909	0.742	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1	ZINC000031811226	569457879	/nfs/dbraw/zinc/45/78/79/569457879.db2.gz	DYDVOMCBBZHTHK-NVXWUHKLSA-N	-1	3	446.529	0.966	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1	ZINC000031811229	569457780	/nfs/dbraw/zinc/45/77/80/569457780.db2.gz	DYDVOMCBBZHTHK-DOTOQJQBSA-N	-1	3	446.529	0.966	50	0		ICAAHM
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)N1CCC(C(=O)NCCc2cccs2)CC1	ZINC000031811325	569457823	/nfs/dbraw/zinc/45/78/23/569457823.db2.gz	GJRNUTCCVKAUJZ-UHFFFAOYSA-N	-1	3	426.520	0.193	50	0		ICAAHM
Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)[N-]C1=NCCS1	ZINC000032579364	556541540	/nfs/dbraw/zinc/54/15/40/556541540.db2.gz	QVUQZOBTJXLASO-UHFFFAOYSA-N	-1	3	434.503	0.785	50	0		ICAAHM
COC(=O)c1ccc2c(c1)nc(COC(=O)Cn1[n-]c(=O)c3ccccc3c1=O)[nH]c2=O	ZINC000032666654	556417960	/nfs/dbraw/zinc/41/79/60/556417960.db2.gz	GESGPMGXXFPSAP-UHFFFAOYSA-N	-1	3	436.380	0.869	50	0		ICAAHM
Cn1c(N)c(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(=O)n(C)c1=O	ZINC000032667998	556418280	/nfs/dbraw/zinc/41/82/80/556418280.db2.gz	GXSDGHHSZHHECU-UHFFFAOYSA-N	-1	3	439.457	0.063	50	0		ICAAHM
CCOC(=O)[N-]C(=O)COC(=O)c1ccc2c(c1)C(=O)N(CCCN1CCOCC1)C2=O	ZINC000032726755	556548384	/nfs/dbraw/zinc/54/83/84/556548384.db2.gz	RTHRTXBOPLZPHO-UHFFFAOYSA-N	-1	3	447.444	0.434	50	0		ICAAHM
CCOC([O-])=NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(CCCN1CCOCC1)C2=O	ZINC000032726755	556548381	/nfs/dbraw/zinc/54/83/81/556548381.db2.gz	RTHRTXBOPLZPHO-UHFFFAOYSA-N	-1	3	447.444	0.434	50	0		ICAAHM
CCn1c(=O)[n-]c(=O)c2cc(C(=O)OCC(=O)Nc3cc(OC)ccc3OC)cnc21	ZINC000032936195	556678561	/nfs/dbraw/zinc/67/85/61/556678561.db2.gz	OAPRAKBHIVEMFV-UHFFFAOYSA-N	-1	3	428.401	0.917	50	0		ICAAHM
CNC(=O)CN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000033033049	556713508	/nfs/dbraw/zinc/71/35/08/556713508.db2.gz	BQMQXEYEYOWSMY-UHFFFAOYSA-N	-1	3	445.545	0.715	50	0		ICAAHM
COCCNC(=O)Cc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1	ZINC000033104516	556858409	/nfs/dbraw/zinc/85/84/09/556858409.db2.gz	MHSOAGDYXCKVLS-UHFFFAOYSA-N	-1	3	439.266	0.243	50	0		ICAAHM
CCc1[n-]nc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C(=O)OC	ZINC000033256070	556895217	/nfs/dbraw/zinc/89/52/17/556895217.db2.gz	BXGDEIHQTXOVSD-UHFFFAOYSA-N	-1	3	436.490	0.994	50	0		ICAAHM
CS(=O)(=O)Nc1cnc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c(C(=O)[O-])c1	ZINC000035397347	525228560	/nfs/dbraw/zinc/22/85/60/525228560.db2.gz	IGVXTWSIQLFPKA-UHFFFAOYSA-N	-1	3	425.511	0.462	50	0		ICAAHM
COc1ccc(F)cc1S(=O)(=O)[N-]CCn1ncc2c1ncnc2N1CCOCC1	ZINC000035598422	524326850	/nfs/dbraw/zinc/32/68/50/524326850.db2.gz	UEPYMOIKXRPFQD-UHFFFAOYSA-N	-1	3	436.469	0.789	50	0		ICAAHM
COCCN1CCN(Cc2cc(=O)[n-]c(N3CCN(C(=O)C4CCCCC4)CC3)n2)CC1	ZINC000035926679	568931714	/nfs/dbraw/zinc/93/17/14/568931714.db2.gz	RXPRAMVZUPDVTD-UHFFFAOYSA-N	-1	3	446.596	0.763	50	0		ICAAHM
CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCC(=O)N1CCNC1=O	ZINC000036396753	569099184	/nfs/dbraw/zinc/09/91/84/569099184.db2.gz	YBFOHJXGENBCIO-ZDUSSCGKSA-N	-1	3	441.491	0.089	50	0		ICAAHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCC(=O)N1CCNC1=O	ZINC000036396754	569099247	/nfs/dbraw/zinc/09/92/47/569099247.db2.gz	YBFOHJXGENBCIO-CYBMUJFWSA-N	-1	3	441.491	0.089	50	0		ICAAHM
O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000040161097	557709449	/nfs/dbraw/zinc/70/94/49/557709449.db2.gz	QMGJRYKZRVLYTA-GFCCVEGCSA-N	-1	3	448.423	0.527	50	0		ICAAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	ZINC000040161098	569495154	/nfs/dbraw/zinc/49/51/54/569495154.db2.gz	QMGJRYKZRVLYTA-LBPRGKRZSA-N	-1	3	448.423	0.527	50	0		ICAAHM
Cc1cc(NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)n([C@@H]2CCS(=O)(=O)C2)n1	ZINC000048310573	557060542	/nfs/dbraw/zinc/06/05/42/557060542.db2.gz	ZTAAXTGBYJDEDU-CYBMUJFWSA-N	-1	3	443.485	0.761	50	0		ICAAHM
Cc1cc(NC(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)n([C@H]2CCS(=O)(=O)C2)n1	ZINC000048310575	557060595	/nfs/dbraw/zinc/06/05/95/557060595.db2.gz	ZTAAXTGBYJDEDU-ZDUSSCGKSA-N	-1	3	443.485	0.761	50	0		ICAAHM
Cc1c2c(=O)[n-]n(C)c2[nH]c(=O)c1CCC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000048333136	557068096	/nfs/dbraw/zinc/06/80/96/557068096.db2.gz	RUGKZHYIOYZAST-UHFFFAOYSA-N	-1	3	447.517	0.363	50	0		ICAAHM
CCc1[n-]nc(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1C(=O)OC	ZINC000048991642	557080720	/nfs/dbraw/zinc/08/07/20/557080720.db2.gz	RPWPEONEHFWLCN-UHFFFAOYSA-N	-1	3	427.527	0.078	50	0		ICAAHM
Nc1ccc2c(c1)CC1(C(=O)[N-]C(=O)NC1=O)[C@@H]1CN(Cc3ccc4c(c3)OCO4)CCN21	ZINC000049748043	557118861	/nfs/dbraw/zinc/11/88/61/557118861.db2.gz	GQJWNAZQILDHOO-IBGZPJMESA-N	-1	3	449.467	0.597	50	0		ICAAHM
CCCN(CC(=O)N1CCN(S(C)(=O)=O)CC1)Cc1nc2ccsc2c(=O)[n-]1	ZINC000057315531	569430906	/nfs/dbraw/zinc/43/09/06/569430906.db2.gz	UDXBUJVPOOEFSP-UHFFFAOYSA-N	-1	3	427.552	0.300	50	0		ICAAHM
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1)C(=O)OC	ZINC000058005411	556752573	/nfs/dbraw/zinc/75/25/73/556752573.db2.gz	VLULNDQCDCHROG-MWJQBAMBSA-N	-1	3	427.479	0.616	50	0		ICAAHM
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1)C(=O)OC	ZINC000058005416	556752650	/nfs/dbraw/zinc/75/26/50/556752650.db2.gz	VLULNDQCDCHROG-KCJDHBRGSA-N	-1	3	427.479	0.616	50	0		ICAAHM
O=C(CN1C(=O)CSc2ccccc21)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000058155653	556762580	/nfs/dbraw/zinc/76/25/80/556762580.db2.gz	APNPZBIOLSJLOK-UHFFFAOYSA-N	-1	3	439.453	0.822	50	0		ICAAHM
O=C(CN1C(=O)CSc2ccccc21)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000058155653	556762576	/nfs/dbraw/zinc/76/25/76/556762576.db2.gz	APNPZBIOLSJLOK-UHFFFAOYSA-N	-1	3	439.453	0.822	50	0		ICAAHM
COc1cc(NC(=O)COC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)cc(OC)c1	ZINC000058178077	556769806	/nfs/dbraw/zinc/76/98/06/556769806.db2.gz	XEFOLUGXCKTHJY-UHFFFAOYSA-N	-1	3	426.451	0.206	50	0		ICAAHM
Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cn1C	ZINC000058215500	556772269	/nfs/dbraw/zinc/77/22/69/556772269.db2.gz	YYRMYJAOXYEWMN-UHFFFAOYSA-N	-1	3	432.506	0.833	50	0		ICAAHM
CN(C)[C@@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)c1ccccc1Cl	ZINC000058305133	556778699	/nfs/dbraw/zinc/77/86/99/556778699.db2.gz	YLRWNYDETPMJSD-HNNXBMFYSA-N	-1	3	437.909	0.856	50	0		ICAAHM
CN(C)[C@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C)c1ccccc1Cl	ZINC000058305134	556778794	/nfs/dbraw/zinc/77/87/94/556778794.db2.gz	YLRWNYDETPMJSD-OAHLLOKOSA-N	-1	3	437.909	0.856	50	0		ICAAHM
Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cnc21	ZINC000058316852	556780679	/nfs/dbraw/zinc/78/06/79/556780679.db2.gz	CLAGNTXWDJNYEA-UHFFFAOYSA-N	-1	3	435.893	0.786	50	0		ICAAHM
COc1cc(Br)c(S(=O)(=O)N2CCC3(CC2)NC(=O)[N-]C3=O)cc1OC	ZINC000058504480	556789633	/nfs/dbraw/zinc/78/96/33/556789633.db2.gz	WNRNTLFNNNTWJJ-UHFFFAOYSA-N	-1	3	448.295	0.829	50	0		ICAAHM
C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(Br)cn3)CC2)NC(=O)[N-]C1=O	ZINC000059688490	556803426	/nfs/dbraw/zinc/80/34/26/556803426.db2.gz	XXZIEQDLQRMZSN-OAHLLOKOSA-N	-1	3	447.311	0.615	50	0		ICAAHM
COCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)cnc1N1CCNCC1	ZINC000065025112	569090376	/nfs/dbraw/zinc/09/03/76/569090376.db2.gz	KRXAUXDJKKMNMG-UHFFFAOYSA-N	-1	3	437.497	0.807	50	0		ICAAHM
COCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2)cnc1N1CCNCC1	ZINC000065025127	569090388	/nfs/dbraw/zinc/09/03/88/569090388.db2.gz	NTSHVQUEWIFCEG-UHFFFAOYSA-N	-1	3	449.533	0.677	50	0		ICAAHM
COCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)cnc1N1CCNCC1	ZINC000065025173	569090504	/nfs/dbraw/zinc/09/05/04/569090504.db2.gz	WDQHJWJZLXUVKM-UHFFFAOYSA-N	-1	3	433.534	0.977	50	0		ICAAHM
COCCNC(=O)c1cc([N-]S(=O)(=O)c2cccc(OC)c2)cnc1N1CCNCC1	ZINC000065025320	569090591	/nfs/dbraw/zinc/09/05/91/569090591.db2.gz	AIPODVACDIWBPU-UHFFFAOYSA-N	-1	3	449.533	0.677	50	0		ICAAHM
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000069440161	569506582	/nfs/dbraw/zinc/50/65/82/569506582.db2.gz	SLWBFMNMMYPYST-CYBMUJFWSA-N	-1	3	431.449	0.671	50	0		ICAAHM
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000069440161	569506581	/nfs/dbraw/zinc/50/65/81/569506581.db2.gz	SLWBFMNMMYPYST-CYBMUJFWSA-N	-1	3	431.449	0.671	50	0		ICAAHM
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[n-][nH]c(=O)c12	ZINC000069440167	569506554	/nfs/dbraw/zinc/50/65/54/569506554.db2.gz	SLWBFMNMMYPYST-ZDUSSCGKSA-N	-1	3	431.449	0.671	50	0		ICAAHM
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12	ZINC000069440167	569506553	/nfs/dbraw/zinc/50/65/53/569506553.db2.gz	SLWBFMNMMYPYST-ZDUSSCGKSA-N	-1	3	431.449	0.671	50	0		ICAAHM
Cn1cnc(S(=O)(=O)[N-]C2CCN([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)c1	ZINC000072277689	556458063	/nfs/dbraw/zinc/45/80/63/556458063.db2.gz	HKRJSVGSXKRKCF-QGZVFWFLSA-N	-1	3	431.518	0.491	50	0		ICAAHM
COCCCn1ccc([N-]c2ncc(C(=O)OC)cc2S(=O)(=O)N2CCOCC2)n1	ZINC000072302115	556526475	/nfs/dbraw/zinc/52/64/75/556526475.db2.gz	MSETXIJCJPPPKX-UHFFFAOYSA-N	-1	3	439.494	0.866	50	0		ICAAHM
C[C@@]1(c2ccc(C(=O)N3CCCN(CC(=O)N4CCCC4)CC3)cc2)NC(=O)[N-]C1=O	ZINC000072311852	556591495	/nfs/dbraw/zinc/59/14/95/556591495.db2.gz	HGNABYAJRSWGEH-QFIPXVFZSA-N	-1	3	427.505	0.512	50	0		ICAAHM
C[C@]1(c2ccc(C(=O)N3CCCN(CC(=O)N4CCCC4)CC3)cc2)NC(=O)[N-]C1=O	ZINC000072311853	556591481	/nfs/dbraw/zinc/59/14/81/556591481.db2.gz	HGNABYAJRSWGEH-JOCHJYFZSA-N	-1	3	427.505	0.512	50	0		ICAAHM
Cc1cc(NC(=O)Cn2c(C)nc3ccc([O-])cc3c2=O)n([C@@H]2CCS(=O)(=O)C2)n1	ZINC000072403745	556827064	/nfs/dbraw/zinc/82/70/64/556827064.db2.gz	ZZCCJUFHQSTFJG-CYBMUJFWSA-N	-1	3	431.474	0.914	50	0		ICAAHM
Cc1cc(NC(=O)Cn2c(C)nc3ccc([O-])cc3c2=O)n([C@H]2CCS(=O)(=O)C2)n1	ZINC000072403746	556827571	/nfs/dbraw/zinc/82/75/71/556827571.db2.gz	ZZCCJUFHQSTFJG-ZDUSSCGKSA-N	-1	3	431.474	0.914	50	0		ICAAHM
O=C(Cn1nnn(-c2ccc([N-]S(=O)(=O)Cc3cccc(F)c3)cc2)c1=O)NC1CC1	ZINC000077100248	569585353	/nfs/dbraw/zinc/58/53/53/569585353.db2.gz	DCSXBXUHQGJEEM-UHFFFAOYSA-N	-1	3	446.464	0.789	50	0		ICAAHM
CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCN(CC(=O)NC(C)C)CC3)cc(C(C)C)nc21	ZINC000078517919	568761888	/nfs/dbraw/zinc/76/18/88/568761888.db2.gz	XCHHAEXTQRQNNH-UHFFFAOYSA-N	-1	3	444.536	0.511	50	0		ICAAHM
NC(=O)[N-]C(=O)OCCCN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	ZINC000078724192	556735324	/nfs/dbraw/zinc/73/53/24/556735324.db2.gz	SFIHBSYVVRCFAN-UHFFFAOYSA-N	-1	3	449.327	0.950	50	0		ICAAHM
Cc1cc(Br)ccc1NC(=O)CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000079074578	569324758	/nfs/dbraw/zinc/32/47/58/569324758.db2.gz	NOEGTWMKIQBQBO-UHFFFAOYSA-N	-1	3	444.311	0.524	50	0		ICAAHM
CN(C)c1nc[n-]c(=O)c1NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1	ZINC000079110667	569326229	/nfs/dbraw/zinc/32/62/29/569326229.db2.gz	VSRRGFIPIPTPEK-UHFFFAOYSA-N	-1	3	440.913	0.924	50	0		ICAAHM
O=c1occ(CN2CCSCC2)c([O-])c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000079473672	569330624	/nfs/dbraw/zinc/33/06/24/569330624.db2.gz	YRQCGWWJICXPSA-MRXNPFEDSA-N	-1	3	443.591	0.199	50	0		ICAAHM
O=c1occ(CN2CCSCC2)c([O-])c1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000079473676	569330668	/nfs/dbraw/zinc/33/06/68/569330668.db2.gz	YRQCGWWJICXPSA-INIZCTEOSA-N	-1	3	443.591	0.199	50	0		ICAAHM
O=c1occ(CN2CCCCC2)c([O-])c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000079481460	569330853	/nfs/dbraw/zinc/33/08/53/569330853.db2.gz	WMQUUWCNPXMUGY-QGZVFWFLSA-N	-1	3	425.551	0.636	50	0		ICAAHM
O=c1occ(CN2CCCCC2)c([O-])c1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000079481464	569330820	/nfs/dbraw/zinc/33/08/20/569330820.db2.gz	WMQUUWCNPXMUGY-KRWDZBQOSA-N	-1	3	425.551	0.636	50	0		ICAAHM
Cc1c([O-])ccc2c(C)c(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(=O)oc12	ZINC000079495298	569331371	/nfs/dbraw/zinc/33/13/71/569331371.db2.gz	YTZJSKWYRAJGGA-OAHLLOKOSA-N	-1	3	434.514	0.989	50	0		ICAAHM
Cc1c([O-])ccc2c(C)c(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c(=O)oc12	ZINC000079495299	569331428	/nfs/dbraw/zinc/33/14/28/569331428.db2.gz	YTZJSKWYRAJGGA-HNNXBMFYSA-N	-1	3	434.514	0.989	50	0		ICAAHM
CCOc1cc(CNC(=O)C[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)ccn1	ZINC000084805139	568801580	/nfs/dbraw/zinc/80/15/80/568801580.db2.gz	GAAUKYBWQVCJPX-UHFFFAOYSA-N	-1	3	426.520	0.773	50	0		ICAAHM
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(OC)c1	ZINC000089274516	568909917	/nfs/dbraw/zinc/90/99/17/568909917.db2.gz	YELZSKNUKAKNMJ-HNNXBMFYSA-N	-1	3	441.531	0.832	50	0		ICAAHM
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)c(OC)c1	ZINC000089274519	568909797	/nfs/dbraw/zinc/90/97/97/568909797.db2.gz	YELZSKNUKAKNMJ-OAHLLOKOSA-N	-1	3	441.531	0.832	50	0		ICAAHM
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)ccc1Cl	ZINC000095407672	569364779	/nfs/dbraw/zinc/36/47/79/569364779.db2.gz	BSUXWMFXMUENMF-ZDUSSCGKSA-N	-1	3	428.898	0.747	50	0		ICAAHM
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)ccc1Cl	ZINC000095407673	569364814	/nfs/dbraw/zinc/36/48/14/569364814.db2.gz	BSUXWMFXMUENMF-CYBMUJFWSA-N	-1	3	428.898	0.747	50	0		ICAAHM
Cn1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2Br)cc1C(N)=O	ZINC000095466330	569370945	/nfs/dbraw/zinc/37/09/45/569370945.db2.gz	NFLJBKQORBSFQE-UHFFFAOYSA-N	-1	3	437.297	0.335	50	0		ICAAHM
O=C1[N-]C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Br)OCCO4)C[C@@H]12	ZINC000095467480	569371088	/nfs/dbraw/zinc/37/10/88/569371088.db2.gz	XQMNZXWEIUWFFQ-VIFPVBQESA-N	-1	3	432.252	0.145	50	0		ICAAHM
O=C1[N-]C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Br)OCCO4)C[C@H]12	ZINC000095467481	569371027	/nfs/dbraw/zinc/37/10/27/569371027.db2.gz	XQMNZXWEIUWFFQ-SECBINFHSA-N	-1	3	432.252	0.145	50	0		ICAAHM
CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000095535620	557158303	/nfs/dbraw/zinc/15/83/03/557158303.db2.gz	WLDVPWVIEXLOPP-AYDFFVQHSA-N	-1	3	432.587	0.329	50	0		ICAAHM
O=C(CNC(=O)c1cccc([O-])c1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1	ZINC000097162883	556993912	/nfs/dbraw/zinc/99/39/12/556993912.db2.gz	MBQIXDZYKMGVFU-UHFFFAOYSA-N	-1	3	443.485	0.531	50	0		ICAAHM
Cn1c2[nH]c(=S)n(C[C@@H](O)COc3ccc(Br)cc3)c2c(=O)[n-]c1=O	ZINC000100684573	557269308	/nfs/dbraw/zinc/26/93/08/557269308.db2.gz	HDPFVOWCXUJQOM-SECBINFHSA-N	-1	3	427.280	0.914	50	0		ICAAHM
Cn1cnc(S(=O)(=O)[N-]C2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)c1	ZINC000101068920	557223093	/nfs/dbraw/zinc/22/30/93/557223093.db2.gz	HKRJSVGSXKRKCF-KRWDZBQOSA-N	-1	3	431.518	0.491	50	0		ICAAHM
COC(=O)C1=C(C)NC(=O)[C@@]1([N-]S(=O)(=O)c1ccc(NC(C)=O)cc1)C(F)(F)F	ZINC000101164932	557284130	/nfs/dbraw/zinc/28/41/30/557284130.db2.gz	UULRWQGBOGPFJJ-OAHLLOKOSA-N	-1	3	435.380	0.801	50	0		ICAAHM
COC(=O)C1=C(C)NC(=O)[C@]1([N-]S(=O)(=O)c1ccc(NC(C)=O)cc1)C(F)(F)F	ZINC000101164938	557284157	/nfs/dbraw/zinc/28/41/57/557284157.db2.gz	UULRWQGBOGPFJJ-HNNXBMFYSA-N	-1	3	435.380	0.801	50	0		ICAAHM
CS(=O)(=O)N1CCN(Cc2c([O-])c(CN3CCc4ccccc4C3)coc2=O)CC1	ZINC000101374058	557281188	/nfs/dbraw/zinc/28/11/88/557281188.db2.gz	ASOKEPHKHJZRMJ-UHFFFAOYSA-N	-1	3	433.530	0.981	50	0		ICAAHM
CS(=O)(=O)N1CCN(Cc2c([O-])occ(CN3CCc4ccccc4C3)c2=O)CC1	ZINC000101374058	557281184	/nfs/dbraw/zinc/28/11/84/557281184.db2.gz	ASOKEPHKHJZRMJ-UHFFFAOYSA-N	-1	3	433.530	0.981	50	0		ICAAHM
O=c1occ(CN2CCCCC2)c([O-])c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000101374247	557281251	/nfs/dbraw/zinc/28/12/51/557281251.db2.gz	FVUUOFSPSIAJAC-QGZVFWFLSA-N	-1	3	425.551	0.636	50	0		ICAAHM
O=c1occ(CN2CCCCC2)c([O-])c1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000101374248	557281084	/nfs/dbraw/zinc/28/10/84/557281084.db2.gz	FVUUOFSPSIAJAC-KRWDZBQOSA-N	-1	3	425.551	0.636	50	0		ICAAHM
O=c1occ(CN2CCSCC2)c([O-])c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000101374961	557280922	/nfs/dbraw/zinc/28/09/22/557280922.db2.gz	WUSIUEMCODHBSA-MRXNPFEDSA-N	-1	3	443.591	0.199	50	0		ICAAHM
O=c1c(CN2CCSCC2)coc([O-])c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000101374961	557280921	/nfs/dbraw/zinc/28/09/21/557280921.db2.gz	WUSIUEMCODHBSA-MRXNPFEDSA-N	-1	3	443.591	0.199	50	0		ICAAHM
O=c1occ(CN2CCSCC2)c([O-])c1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000101374963	557281219	/nfs/dbraw/zinc/28/12/19/557281219.db2.gz	WUSIUEMCODHBSA-INIZCTEOSA-N	-1	3	443.591	0.199	50	0		ICAAHM
O=c1c(CN2CCSCC2)coc([O-])c1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000101374963	557281216	/nfs/dbraw/zinc/28/12/16/557281216.db2.gz	WUSIUEMCODHBSA-INIZCTEOSA-N	-1	3	443.591	0.199	50	0		ICAAHM
C[C@@H]1CCC[C@@H](NC(=O)NC(=O)COC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)[C@H]1C	ZINC000105696538	557509691	/nfs/dbraw/zinc/50/96/91/557509691.db2.gz	GNAGUJGRUYGLCD-DVOMOZLQSA-N	-1	3	430.461	0.884	50	0		ICAAHM
C[C@@H]1CCC[C@H](NC(=O)NC(=O)COC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)[C@H]1C	ZINC000105696543	557509698	/nfs/dbraw/zinc/50/96/98/557509698.db2.gz	GNAGUJGRUYGLCD-WWGRRREGSA-N	-1	3	430.461	0.884	50	0		ICAAHM
O=C(CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O)NCCN1CCOCC1	ZINC000170594495	569141320	/nfs/dbraw/zinc/14/13/20/569141320.db2.gz	RSTJIYJYSZZNJW-UHFFFAOYSA-N	-1	3	437.294	0.881	50	0		ICAAHM
COc1ccc(OC)c(-c2cc(C(=O)NCC[N-]S(=O)(=O)c3cn(C)cn3)n(C)n2)c1	ZINC000206633745	556823046	/nfs/dbraw/zinc/82/30/46/556823046.db2.gz	UUGQQRLOFQYZJX-UHFFFAOYSA-N	-1	3	448.505	0.546	50	0		ICAAHM
Cn1cnc(S(=O)(=O)[N-]CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1	ZINC000206634067	556823009	/nfs/dbraw/zinc/82/30/09/556823009.db2.gz	PKTCAKXOPMBKNW-UHFFFAOYSA-N	-1	3	428.414	0.576	50	0		ICAAHM
COc1ccc(S(=O)(=O)N[C@H](Cn2c([O-])coc2=O)c2ccccc2)cc1C(N)=O	ZINC000225639143	569406352	/nfs/dbraw/zinc/40/63/52/569406352.db2.gz	KMJQEXMHKKWFTB-OAHLLOKOSA-N	-1	3	433.442	0.793	50	0		ICAAHM
COc1ccc(S(=O)(=O)N[C@@H](Cn2c([O-])coc2=O)c2ccccc2)cc1C(N)=O	ZINC000225639169	569406305	/nfs/dbraw/zinc/40/63/05/569406305.db2.gz	KMJQEXMHKKWFTB-HNNXBMFYSA-N	-1	3	433.442	0.793	50	0		ICAAHM
CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)N(C)C[C@@H]2C1	ZINC000225640411	557755498	/nfs/dbraw/zinc/75/54/98/557755498.db2.gz	YRKFHQUDMPQOGX-HIFRSBDPSA-N	-1	3	444.554	0.804	50	0		ICAAHM
CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)N(C)C[C@@H]2C1	ZINC000225640438	557755462	/nfs/dbraw/zinc/75/54/62/557755462.db2.gz	YRKFHQUDMPQOGX-UKRRQHHQSA-N	-1	3	444.554	0.804	50	0		ICAAHM
CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)N(C)C[C@H]2C1	ZINC000225640456	557755492	/nfs/dbraw/zinc/75/54/92/557755492.db2.gz	YRKFHQUDMPQOGX-ZFWWWQNUSA-N	-1	3	444.554	0.804	50	0		ICAAHM
CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)N(C)C[C@H]2C1	ZINC000225640486	557755437	/nfs/dbraw/zinc/75/54/37/557755437.db2.gz	YRKFHQUDMPQOGX-DZGCQCFKSA-N	-1	3	444.554	0.804	50	0		ICAAHM
COC(=O)c1cc(C(=O)[N-]c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)no1	ZINC000241160569	557846025	/nfs/dbraw/zinc/84/60/25/557846025.db2.gz	JYILMXPDFOFFIF-UHFFFAOYSA-N	-1	3	425.419	0.743	50	0		ICAAHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCNS(=O)(=O)N(C)C	ZINC000253421772	556696942	/nfs/dbraw/zinc/69/69/42/556696942.db2.gz	SUUARMZZLBUFMZ-UHFFFAOYSA-N	-1	3	434.309	0.271	50	0		ICAAHM
CC(=O)OC[C@@H]1O[C@H](n2cc(Br)c(=O)[n-]c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000255993300	556812519	/nfs/dbraw/zinc/81/25/19/556812519.db2.gz	OVWGEZUVGHETAU-FMSGJZPZSA-N	-1	3	449.210	0.035	50	0		ICAAHM
CC(=O)OC[C@@H]1O[C@H](n2cc(Br)c(=O)[n-]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000255993301	556812461	/nfs/dbraw/zinc/81/24/61/556812461.db2.gz	OVWGEZUVGHETAU-SFTQSGBHSA-N	-1	3	449.210	0.035	50	0		ICAAHM
CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000256068936	568663482	/nfs/dbraw/zinc/66/34/82/568663482.db2.gz	WLDVPWVIEXLOPP-FQLMCAECSA-N	-1	3	432.587	0.329	50	0		ICAAHM
CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000256068937	568663765	/nfs/dbraw/zinc/66/37/65/568663765.db2.gz	WLDVPWVIEXLOPP-NHIYQJMISA-N	-1	3	432.587	0.329	50	0		ICAAHM
Cc1cc(=NC(=O)Cn2c(C)nc3ccc(O)cc3c2=O)n([C@@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159192	568751147	/nfs/dbraw/zinc/75/11/47/568751147.db2.gz	YXLMJNGIVBPSBR-CYBMUJFWSA-N	-1	3	431.474	0.336	50	0		ICAAHM
Cc1cc(=NC(=O)Cn2c(C)nc3ccc(O)cc3c2=O)n([C@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159193	568751043	/nfs/dbraw/zinc/75/10/43/568751043.db2.gz	YXLMJNGIVBPSBR-ZDUSSCGKSA-N	-1	3	431.474	0.336	50	0		ICAAHM
Cc1cc(=NC(=O)Cn2c(C)nc3ccc(F)cc3c2=O)n([C@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159276	526103849	/nfs/dbraw/zinc/10/38/49/526103849.db2.gz	QMLCGJJBRJWRLH-AWEZNQCLSA-N	-1	3	433.465	0.769	50	0		ICAAHM
Cc1cc(=NC(=O)Cn2c(C)nc3ccc(F)cc3c2=O)n([C@@H]2CCS(=O)(=O)C2)[n-]1	ZINC000334159277	526102494	/nfs/dbraw/zinc/10/24/94/526102494.db2.gz	QMLCGJJBRJWRLH-CQSZACIVSA-N	-1	3	433.465	0.769	50	0		ICAAHM
O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@@H]1CCN(c2ccc3nncn3n2)C1	ZINC000390828191	569353973	/nfs/dbraw/zinc/35/39/73/569353973.db2.gz	AGJMUMNZYHASGK-CYBMUJFWSA-N	-1	3	433.469	0.327	50	0		ICAAHM
O=C(CC[N-]S(=O)(=O)c1ccccc1F)N[C@H]1CCN(c2ccc3nncn3n2)C1	ZINC000390828193	569353958	/nfs/dbraw/zinc/35/39/58/569353958.db2.gz	AGJMUMNZYHASGK-ZDUSSCGKSA-N	-1	3	433.469	0.327	50	0		ICAAHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]C2CCN(c3nccn4c(C)nnc34)CC2)s1	ZINC000390832001	569354438	/nfs/dbraw/zinc/35/44/38/569354438.db2.gz	WOMACSACPMIDLZ-UHFFFAOYSA-N	-1	3	436.523	0.795	50	0		ICAAHM
COc1cc([C@@H](CC(=O)NCCS(N)(=O)=O)c2oc(C)cc(=O)c2[O-])ccc1O	ZINC000524730429	569126072	/nfs/dbraw/zinc/12/60/72/569126072.db2.gz	IXMGEPKMSROZIN-GFCCVEGCSA-N	-1	3	426.447	0.295	50	0	biogenic	ICAAHM
COc1cc([C@H](CC(=O)NCCS(N)(=O)=O)c2oc(C)cc(=O)c2[O-])ccc1O	ZINC000524730430	569126069	/nfs/dbraw/zinc/12/60/69/569126069.db2.gz	IXMGEPKMSROZIN-LBPRGKRZSA-N	-1	3	426.447	0.295	50	0	biogenic	ICAAHM
CN(C)c1nc(C[N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)nc(N(C)C)n1	ZINC000575605518	568877984	/nfs/dbraw/zinc/87/79/84/568877984.db2.gz	BMDLKUAPTLQRAS-UHFFFAOYSA-N	-1	3	431.522	0.317	50	0		ICAAHM
COc1nc(C[N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)nc(N2CCOCC2)n1	ZINC000575606811	568878226	/nfs/dbraw/zinc/87/82/26/568878226.db2.gz	LUVDFJBVKGFONK-UHFFFAOYSA-N	-1	3	431.478	0.381	50	0		ICAAHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2nc(N(C)C)nc(N3CCCCC3)n2)s1	ZINC000575608629	568878433	/nfs/dbraw/zinc/87/84/33/568878433.db2.gz	WETXEHWXDSXBLV-UHFFFAOYSA-N	-1	3	440.555	0.821	50	0		ICAAHM
COc1nc(C[N-]S(=O)(=O)c2ccccc2Br)nc(N2CCOCC2)n1	ZINC000575608786	568878728	/nfs/dbraw/zinc/87/87/28/568878728.db2.gz	YHQWZFXRLDMDGV-UHFFFAOYSA-N	-1	3	444.311	0.958	50	0		ICAAHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]CCN2c3cc(F)ccc3N(C)S2(=O)=O)s1	ZINC000575612699	568879362	/nfs/dbraw/zinc/87/93/62/568879362.db2.gz	NVHQRHPCUBXMMQ-UHFFFAOYSA-N	-1	3	449.511	0.720	50	0		ICAAHM
COC(=O)c1sccc1S(=O)(=O)[N-]CC1CCN(S(=O)(=O)N(C)C)CC1	ZINC000575616634	568881458	/nfs/dbraw/zinc/88/14/58/568881458.db2.gz	VAAILJBKBDIPBE-UHFFFAOYSA-N	-1	3	425.554	0.331	50	0		ICAAHM
Cc1cccc(N(CC(=O)NCCn2[n-]c(=O)c3ccccc3c2=O)S(C)(=O)=O)c1	ZINC000670444263	569451987	/nfs/dbraw/zinc/45/19/87/569451987.db2.gz	WUSJJMXBEHVXAM-UHFFFAOYSA-N	-1	3	430.486	0.993	50	0		ICAAHM