smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2cc(C)ccc2nc1N1CCOCC1	ZINC000022078714	846528901	/nfs/dbraw/zinc/52/89/01/846528901.db2.gz	NUVWWZIECKDUBZ-CJLVFECKSA-N	0	0	412.493	4.186	50	10		HICARN
O=C1N=C(N2CCCCC2)S/C1=C/c1cc(Br)c2c(c1)OCCCO2	ZINC000084335245	852544903	/nfs/dbraw/zinc/54/49/03/852544903.db2.gz	UMXMRKYDVSOGGS-RVDMUPIBSA-N	0	0	423.332	4.067	50	10		HICARN
CCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccccc3F)n2)SC1=S	ZINC000096662762	852554130	/nfs/dbraw/zinc/55/41/30/852554130.db2.gz	ZVCOXBORDLDEFZ-ZSOIEALJSA-N	0	0	407.517	4.188	50	10		HICARN
Cc1nn(Cc2ccccc2)c(Cl)c1C=C1SC(NC2CCCC2)=NC1=O	ZINC000096792686	852555102	/nfs/dbraw/zinc/55/51/02/852555102.db2.gz	GCWAEGANNOJLGC-GZTJUZNOSA-N	0	0	400.935	4.396	50	10		HICARN
O=C1C(=C2CCCN2)C(c2cc([N+](=O)[O-])c(Cl)cc2Cl)=NN1c1ccccc1	ZINC000111292419	853229089	/nfs/dbraw/zinc/22/90/89/853229089.db2.gz	SGEYBKJGOJWBAB-BMRADRMJSA-N	0	0	417.252	4.290	50	10		HICARN
CCN1c2ccccc2C=C/C1=C\c1ccc2ccccc2[n+]1CCCS(=O)(=O)[O-]	ZINC000004497814	132277743	/nfs/dbraw/zinc/27/77/43/132277743.db2.gz	OQKFYJKNGFQXDL-UHFFFAOYSA-O	0	0	421.542	4.299	50	10	biogenic	HICARN
O=C1c2ccccc2-c2onc3c2c1c(N1CCOCC1)cc3N1CCCCCC1	ZINC000006737869	132314068	/nfs/dbraw/zinc/31/40/68/132314068.db2.gz	IMHALFSBEZTYCR-UHFFFAOYSA-N	0	0	403.482	4.256	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3cc4c(s3)-c3ccccc3OC4)CC2)cc1	ZINC000006802782	132317505	/nfs/dbraw/zinc/31/75/05/132317505.db2.gz	GHDYPRZBIKWNLG-UHFFFAOYSA-N	0	0	406.507	4.279	50	10		HICARN
COc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1	ZINC000013547563	132456444	/nfs/dbraw/zinc/45/64/44/132456444.db2.gz	DGBXPSLBMZMSBB-UYRXBGFRSA-N	0	0	413.930	4.141	50	10		HICARN
COc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2Cc2ccccc2)cc1	ZINC000044086284	523147309	/nfs/dbraw/zinc/14/73/09/523147309.db2.gz	QKDJUYQDYOGUPX-UHFFFAOYSA-N	0	0	407.539	4.322	50	10		HICARN
CCc1cccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)c1	ZINC000044169821	524071377	/nfs/dbraw/zinc/07/13/77/524071377.db2.gz	GJFUTTVJCMNJFY-UHFFFAOYSA-N	0	0	410.539	4.274	50	10		HICARN
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1cccc[n+]1[O-]	ZINC000053968978	525622519	/nfs/dbraw/zinc/62/25/19/525622519.db2.gz	MHHRNOQKMOVTMV-SFHVURJKSA-N	0	0	415.415	4.245	50	10		HICARN
COc1ccc(N2CCN(C(=O)CSC3=Nc4ccccc4CS3)CC2)cc1	ZINC000005325600	536683219	/nfs/dbraw/zinc/68/32/19/536683219.db2.gz	QHBPDVYMSRORTK-UHFFFAOYSA-N	0	0	413.568	4.012	50	10		HICARN
COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)c(Br)cc1O	ZINC000000998060	557138875	/nfs/dbraw/zinc/13/88/75/557138875.db2.gz	NNGAIUXXHBQHFO-OVCLIPMQSA-N	0	0	401.260	4.278	50	10		HICARN
Cc1csc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)n1	ZINC000001139637	557203219	/nfs/dbraw/zinc/20/32/19/557203219.db2.gz	FNMOKHPLCQKMHG-OTLSHVCWSA-N	0	0	415.565	4.238	50	10		HICARN
COc1cccc(OCCn2cc(C=C3SC(=S)NC3=O)c3ccccc32)c1	ZINC000001190705	557236263	/nfs/dbraw/zinc/23/62/63/557236263.db2.gz	AULPYAXPKVOBFL-YBFXNURJSA-N	0	0	410.520	4.218	50	10		HICARN
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cc(Cl)ccc1O	ZINC000002589466	557358932	/nfs/dbraw/zinc/35/89/32/557358932.db2.gz	BGMVPBWKDQJNMF-XNTDXEJSSA-N	0	0	422.915	4.259	50	10		HICARN
COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O	ZINC000002817724	557395494	/nfs/dbraw/zinc/39/54/94/557395494.db2.gz	YZVYFPJQMTVGLS-FRKPEAEDSA-N	0	0	422.865	4.096	50	10		HICARN
COc1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)cc1OC	ZINC000004011954	557505065	/nfs/dbraw/zinc/50/50/65/557505065.db2.gz	JKHFLVGMDPPYPQ-CXUHLZMHSA-N	0	0	401.260	4.272	50	10		HICARN
CN(C)c1ccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1	ZINC000004620875	557573518	/nfs/dbraw/zinc/57/35/18/557573518.db2.gz	DEKLNEGIJOLXJP-OTLVRQKTSA-N	0	0	409.902	4.073	50	10		HICARN
Cc1ccccc1NC(=O)CCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O	ZINC000009494148	557844406	/nfs/dbraw/zinc/84/44/06/557844406.db2.gz	NLIDRNSOAPAVJU-XMHGGMMESA-N	0	0	409.511	4.126	50	10		HICARN
CCN1CCN(C2=NC(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)S2)CC1	ZINC000019842409	558294610	/nfs/dbraw/zinc/29/46/10/558294610.db2.gz	FZNPPZVEGNKXHC-JWGURIENSA-N	0	0	421.566	4.182	50	10		HICARN
COc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1	ZINC000004365369	558461387	/nfs/dbraw/zinc/46/13/87/558461387.db2.gz	WUFUKHWNDLGSLT-UHFFFAOYSA-N	0	0	408.439	4.131	50	10		HICARN
Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\C(=N)N2N=C(C(C)C)SC2=NC1=O	ZINC000004396521	558486472	/nfs/dbraw/zinc/48/64/72/558486472.db2.gz	OOGOKBMDBADBAK-ICZFKYGZSA-N	0	0	412.906	4.109	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N(C)Cc2ccc(Cl)cc2)cc1	ZINC000013056091	558508447	/nfs/dbraw/zinc/50/84/47/558508447.db2.gz	GZKBIJTZAAIZTK-UHFFFAOYSA-N	0	0	409.917	4.136	50	10		HICARN
O=C1N=C(N2CCN(c3cccc4ccccc43)CC2)S/C1=C/c1ccccc1O	ZINC000013536490	558537270	/nfs/dbraw/zinc/53/72/70/558537270.db2.gz	UGMLYOJOWWHJOP-CJLVFECKSA-N	0	0	415.518	4.338	50	10		HICARN
CCN(CC)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	ZINC000013739531	558589068	/nfs/dbraw/zinc/58/90/68/558589068.db2.gz	FOEDMXGUDHIODM-SDXDJHTJSA-N	0	0	420.600	4.325	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1OC	ZINC000013751150	558589648	/nfs/dbraw/zinc/58/96/48/558589648.db2.gz	KFBVATGWPQCBTG-BOPFTXTBSA-N	0	0	401.509	4.114	50	10		HICARN
CCCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(O)c(Br)c3)C2=N)S1	ZINC000013895280	558600304	/nfs/dbraw/zinc/60/03/04/558600304.db2.gz	CAEMABAYOFLRPV-IEIWSAMDSA-N	0	0	421.320	4.354	50	10		HICARN
Cc1ccccc1COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(C)C1=O	ZINC000013897313	558600550	/nfs/dbraw/zinc/60/05/50/558600550.db2.gz	QJKKXFLHOMBEDP-YVLHZVERSA-N	0	0	400.481	4.313	50	10		HICARN
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	ZINC000014010517	558613276	/nfs/dbraw/zinc/61/32/76/558613276.db2.gz	LHJJZFDDXAUOAW-JCMHNJIXSA-N	0	0	422.525	4.112	50	10		HICARN
COc1cccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c1OC	ZINC000027530307	558673862	/nfs/dbraw/zinc/67/38/62/558673862.db2.gz	BLXSJGAYDJJDFH-GZTJUZNOSA-N	0	0	414.508	4.068	50	10		HICARN
CCOc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc(Cl)c1O	ZINC000015010843	558700288	/nfs/dbraw/zinc/70/02/88/558700288.db2.gz	CPKMRBBAYWRFRP-NVNXTCNLSA-N	0	0	406.916	4.241	50	10		HICARN
COc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(Cc2cccc(C)c2)C1=O	ZINC000015013644	558701253	/nfs/dbraw/zinc/70/12/53/558701253.db2.gz	VZCGYXNQLOUKOB-KGENOOAVSA-N	0	0	405.498	4.087	50	10		HICARN
CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(C)n(-c2ccccc2)c1C	ZINC000029241530	558712281	/nfs/dbraw/zinc/71/22/81/558712281.db2.gz	OUKIFQNOEADKNL-UHFFFAOYSA-N	0	0	405.498	4.204	50	10		HICARN
COC(=O)c1ccccc1SCC(=O)NCc1cc(Cl)c2ccccc2c1O	ZINC000015108538	558723487	/nfs/dbraw/zinc/72/34/87/558723487.db2.gz	ZOEQAQQKJFDJDH-UHFFFAOYSA-N	0	0	415.898	4.394	50	10		HICARN
COC(=O)c1ccc(C=C2SC(Nc3ccc(Br)cc3)=NC2=O)cc1	ZINC000015746438	558751589	/nfs/dbraw/zinc/75/15/89/558751589.db2.gz	RTEFXSMTNVCBBS-GDNBJRDFSA-N	0	0	417.284	4.318	50	10		HICARN
Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1	ZINC000015799787	558753818	/nfs/dbraw/zinc/75/38/18/558753818.db2.gz	BYVLDYYPRFJSGK-YBEGLDIGSA-N	0	0	402.928	4.488	50	10		HICARN
COc1ccc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1	ZINC000034888936	558786948	/nfs/dbraw/zinc/78/69/48/558786948.db2.gz	XIUUQEHWPWFRHY-WZBMNHFVSA-N	0	0	410.886	4.210	50	10		HICARN
COc1ccc(N2CCN([C@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1	ZINC000058120690	558899978	/nfs/dbraw/zinc/89/99/78/558899978.db2.gz	XMTWXWPGTIGQKP-CQSZACIVSA-N	0	0	408.329	4.151	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1Cl	ZINC000004699100	558907185	/nfs/dbraw/zinc/90/71/85/558907185.db2.gz	NBBFOJSBIPDBOT-WJDWOHSUSA-N	0	0	413.857	4.234	50	10		HICARN
C[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1	ZINC000072441620	558981679	/nfs/dbraw/zinc/98/16/79/558981679.db2.gz	ODQVKUHWZHROQU-WOJBJXKFSA-N	0	0	407.558	4.251	50	10		HICARN
COc1ccc(CC(=O)c2ccc([O-])c(C[NH+]3C[C@@H](C)C[C@H](C)C3)c2O)cc1OC	ZINC000023135374	559018589	/nfs/dbraw/zinc/01/85/89/559018589.db2.gz	VKKBENYDLULSKQ-HOTGVXAUSA-N	0	0	413.514	4.018	50	10		HICARN
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1F	ZINC000033333122	559063223	/nfs/dbraw/zinc/06/32/23/559063223.db2.gz	AJXBPUXRZKWEEX-MHWRWJLKSA-N	0	0	416.246	4.465	50	10		HICARN
CCCCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S	ZINC000004793750	559066158	/nfs/dbraw/zinc/06/61/58/559066158.db2.gz	SCCLXRVQMINMFE-SAPNQHFASA-N	0	0	407.557	4.410	50	10		HICARN
O=C(N=N/C=C1\SC(=O)N=C1N1C=CC(=C2C=C[NH2+]C=C2)C=C1)c1ccccc1[O-]	ZINC000263591751	559165369	/nfs/dbraw/zinc/16/53/69/559165369.db2.gz	KNROROZHIHWLFP-IRNIWSTMSA-N	0	0	417.450	4.362	50	10		HICARN
Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=N)S1	ZINC000004873011	559194722	/nfs/dbraw/zinc/19/47/22/559194722.db2.gz	KPIBHJDJKNDMAZ-BHBBQXGTSA-N	0	0	415.478	4.174	50	10		HICARN
COc1ccc(N2CCN(C(=O)COc3ccccc3Cc3ccccc3)CC2)cc1	ZINC000004896259	559198530	/nfs/dbraw/zinc/19/85/30/559198530.db2.gz	NHRFFVWEEZWZSZ-UHFFFAOYSA-N	0	0	416.521	4.014	50	10		HICARN
COc1ccc(C(=O)N2N=C(c3cccs3)C[C@H]2c2cccc(OC)c2O)cc1	ZINC000004942466	559213475	/nfs/dbraw/zinc/21/34/75/559213475.db2.gz	VPMKLTHRKXMZJR-SFHVURJKSA-N	0	0	408.479	4.462	50	10		HICARN
O=C(c1c(C(F)(F)F)oc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)OCO2	ZINC000033714025	559235141	/nfs/dbraw/zinc/23/51/41/559235141.db2.gz	TXGZGNVUNBTSNP-UHFFFAOYSA-N	0	0	414.291	4.034	50	10		HICARN
COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1	ZINC000005098672	559244545	/nfs/dbraw/zinc/24/45/45/559244545.db2.gz	HLMUHCBCUMFOMD-VWLOTQADSA-N	0	0	415.537	4.295	50	10	aggregator	HICARN
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCC2)cc1	ZINC000005098024	559245181	/nfs/dbraw/zinc/24/51/81/559245181.db2.gz	LVJGPJVXPDOGAP-HXUWFJFHSA-N	0	0	416.363	4.082	50	10		HICARN
CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Br)c2)[NH+]2CCCC2)cc1	ZINC000005098019	559245216	/nfs/dbraw/zinc/24/52/16/559245216.db2.gz	JQHGYBHXLPJRLC-HXUWFJFHSA-N	0	0	416.363	4.082	50	10		HICARN
CCN1C(=O)/C(=C\c2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)SC1=S	ZINC000005201091	560537812	/nfs/dbraw/zinc/53/78/12/560537812.db2.gz	QIRIIKZUOKPRFW-LDADJPATSA-N	0	0	413.520	4.444	50	10		HICARN
Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cc([N+](=O)[O-])ccc1C	ZINC000005487262	560597494	/nfs/dbraw/zinc/59/74/94/560597494.db2.gz	KVHBLYPTUANZLT-YAPNPGLHSA-N	0	0	407.455	4.088	50	10		HICARN
CSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C2=N)S1	ZINC000005488007	560597520	/nfs/dbraw/zinc/59/75/20/560597520.db2.gz	TYIXQGWEPFLLSJ-YGHDLIBZSA-N	0	0	409.540	4.342	50	10		HICARN
O=C1C(=CNCc2ccccc2)C(C(F)(F)F)=NN1c1nc2ccccc2s1	ZINC000018010831	560753652	/nfs/dbraw/zinc/75/36/52/560753652.db2.gz	MVGWIJHIORFIGT-ACCUITESSA-N	0	0	402.401	4.235	50	10		HICARN
CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C2=N)S1	ZINC000018158643	560780175	/nfs/dbraw/zinc/78/01/75/560780175.db2.gz	HUQWFUMHJMGGNG-AZAZKDLZSA-N	0	0	422.466	4.152	50	10		HICARN
Cc1cc(C(=O)CSc2nc(C)c(CC(N)=O)s2)c(C)n1-c1cccc(C)c1	ZINC000048340352	568440229	/nfs/dbraw/zinc/44/02/29/568440229.db2.gz	FSWDAZUFHWJNFC-UHFFFAOYSA-N	0	0	413.568	4.170	50	10		HICARN
COc1ccc(-c2ccc(/C=C3\C(=O)N=C4SC=C(C)N4C3=N)o2)c([N+](=O)[O-])c1	ZINC000049672615	568453008	/nfs/dbraw/zinc/45/30/08/568453008.db2.gz	RVXOTSWVNOHJFY-ZBFCSYKESA-N	0	0	410.411	4.030	50	10		HICARN
CN1CCN(Cc2c3c(C(=O)c4ccc5ccccc5c4)coc3ccc2O)CC1	ZINC000604419345	568493197	/nfs/dbraw/zinc/49/31/97/568493197.db2.gz	CMFXYEDFVGJPPI-UHFFFAOYSA-N	0	0	400.478	4.270	50	10		HICARN
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1cc[nH+]cc1	ZINC000033431527	568514622	/nfs/dbraw/zinc/51/46/22/568514622.db2.gz	RCHXNCJKGLEYDJ-UYRXBGFRSA-N	0	0	402.479	4.161	50	10		HICARN
C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1	ZINC000222459109	568516072	/nfs/dbraw/zinc/51/60/72/568516072.db2.gz	ODQVKUHWZHROQU-UXHICEINSA-N	0	0	407.558	4.251	50	10		HICARN
CN1C(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2)C(=O)N(C)C1=O	ZINC000001060432	568766284	/nfs/dbraw/zinc/76/62/84/568766284.db2.gz	MTHSYIHQSRZCTD-UHFFFAOYSA-N	0	0	419.264	4.006	50	10		HICARN
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@H]3C2=O)c(C)c1	ZINC000230033931	568803191	/nfs/dbraw/zinc/80/31/91/568803191.db2.gz	BLQLYXPJSHXHPC-YTFSRNRJSA-N	0	0	414.461	4.060	50	10		HICARN
O=C1NC(=S)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000001195190	568823029	/nfs/dbraw/zinc/82/30/29/568823029.db2.gz	HNUSJOUJWWUCHW-SDQBBNPISA-N	0	0	411.258	4.106	50	10		HICARN
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Br)cc1	ZINC000005903628	568829091	/nfs/dbraw/zinc/82/90/91/568829091.db2.gz	XWXONNACOKCQED-UHFFFAOYSA-N	0	0	406.235	4.477	50	10		HICARN
COc1ccc(CCN2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1OC	ZINC000006009311	568835129	/nfs/dbraw/zinc/83/51/29/568835129.db2.gz	RDAICIKKKKCWFV-LDADJPATSA-N	0	0	403.500	4.287	50	10		HICARN
CCOC(=O)[C@@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	ZINC000012543636	568849082	/nfs/dbraw/zinc/84/90/82/568849082.db2.gz	OZQWJUKHJLGHEE-QGZVFWFLSA-N	0	0	402.922	4.205	50	10		HICARN
CN(C)c1ccc(CN(C)C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cc1	ZINC000012558385	568856703	/nfs/dbraw/zinc/85/67/03/568856703.db2.gz	ZPQJOSUOZWXDTG-RUZDIDTESA-N	0	0	419.594	4.420	50	10		HICARN
Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000003338289	568883088	/nfs/dbraw/zinc/88/30/88/568883088.db2.gz	KCOYAGXXJPBDLR-UHFFFAOYSA-N	0	0	410.471	4.104	50	10		HICARN
CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1OC	ZINC000012635803	568883915	/nfs/dbraw/zinc/88/39/15/568883915.db2.gz	ZUDWKLMARNRGND-BOPFTXTBSA-N	0	0	423.556	4.027	50	10		HICARN
COc1ccccc1C(=O)NN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S	ZINC000006303352	569038638	/nfs/dbraw/zinc/03/86/38/569038638.db2.gz	RHKWWHLXAQVPSQ-FBRLRESOSA-N	0	0	410.520	4.188	50	10		HICARN
CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC)C(=O)C(C)C	ZINC000006711474	569096622	/nfs/dbraw/zinc/09/66/22/569096622.db2.gz	VDTAAGKROAZGRA-QGZVFWFLSA-N	0	0	412.596	4.044	50	10		HICARN
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C)oc3C)c2C)cc1	ZINC000006831021	569147338	/nfs/dbraw/zinc/14/73/38/569147338.db2.gz	AVTFFGILQBOGRI-UHFFFAOYSA-N	0	0	409.438	4.130	50	10		HICARN
COc1ccc(N2CCN(c3ccc(-c4nc(-c5ccccc5)no4)cn3)CC2)cc1	ZINC000065097777	569176530	/nfs/dbraw/zinc/17/65/30/569176530.db2.gz	HITHTLSCYKENQR-UHFFFAOYSA-N	0	0	413.481	4.134	50	10		HICARN
CCc1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1	ZINC000065096259	569176671	/nfs/dbraw/zinc/17/66/71/569176671.db2.gz	TXMMYLBEZYLAGQ-UHFFFAOYSA-N	0	0	416.930	4.292	50	10		HICARN
Cc1cc(C)cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)c1	ZINC000065096294	569176789	/nfs/dbraw/zinc/17/67/89/569176789.db2.gz	LZXBYQNXJLKHHG-UHFFFAOYSA-N	0	0	414.502	4.222	50	10		HICARN
CC(C)(C)c1ccc(OCCSc2nc(-c3ccco3)nc3cc(=O)[nH]n32)cc1	ZINC000006915823	569181053	/nfs/dbraw/zinc/18/10/53/569181053.db2.gz	XHGHIXAJYRBOSL-UHFFFAOYSA-N	0	0	410.499	4.146	50	10		HICARN
CN(C)c1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1	ZINC000065136884	569183507	/nfs/dbraw/zinc/18/35/07/569183507.db2.gz	RUYQSFCMCOPJCB-HXUWFJFHSA-N	0	0	408.546	4.093	50	10		HICARN
COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2cccc(OC)c2O)cc1	ZINC000007884464	569315154	/nfs/dbraw/zinc/31/51/54/569315154.db2.gz	RIDUYJWUBRKFSZ-QHCPKHFHSA-N	0	0	404.466	4.219	50	10		HICARN
Cc1ccc(OCc2nnc3n2N=C(c2cc(Cl)ccc2O)CS3)cc1C	ZINC000019928019	569357512	/nfs/dbraw/zinc/35/75/12/569357512.db2.gz	WEZVZZPVWWRCOZ-UHFFFAOYSA-N	0	0	400.891	4.191	50	10		HICARN
COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC)cc3OC)SC2=S)cc1	ZINC000002438479	569399962	/nfs/dbraw/zinc/39/99/62/569399962.db2.gz	AOEWITHIDPMKKH-UNOMPAQXSA-N	0	0	415.536	4.156	50	10		HICARN
CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(Br)cc1	ZINC000008872259	571130601	/nfs/dbraw/zinc/13/06/01/571130601.db2.gz	WGDVZMUIORYUPB-WJDWOHSUSA-N	0	0	416.231	4.138	50	10		HICARN
COc1cc(C)c(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1OC	ZINC000040074810	571154579	/nfs/dbraw/zinc/15/45/79/571154579.db2.gz	GMCCJBIQHHHIBB-UHFFFAOYSA-N	0	0	422.481	4.443	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(O)c(OC)c2)c1	ZINC000245311389	571224079	/nfs/dbraw/zinc/22/40/79/571224079.db2.gz	OSQAFIRXZLACFF-DVECYGJZSA-N	0	0	418.449	4.357	50	10		HICARN
CN(C)c1ccc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1	ZINC000009191800	571235520	/nfs/dbraw/zinc/23/55/20/571235520.db2.gz	LWYDQCWRVFUXFH-MQIWZSEOSA-N	0	0	423.929	4.268	50	10		HICARN
COC(=O)c1cccc(NC(=O)NCc2cc(C)n(-c3ccc(OC)cc3)c2C)c1	ZINC000009228678	571239466	/nfs/dbraw/zinc/23/94/66/571239466.db2.gz	ZAFQEKOBJDEYOB-UHFFFAOYSA-N	0	0	407.470	4.211	50	10		HICARN
CC(C)c1ccc(/C=C2/C(=N)N3N=C(c4ccc5c(c4)OCO5)SC3=NC2=O)cc1	ZINC000009291134	571245593	/nfs/dbraw/zinc/24/55/93/571245593.db2.gz	KRLUTJWEVVZMJQ-NJOZZACWSA-N	0	0	418.478	4.206	50	10		HICARN
O=C1c2ccccc2N[C@H](c2cccc(Br)c2O)N1Cc1cccnc1	ZINC000070019642	571254505	/nfs/dbraw/zinc/25/45/05/571254505.db2.gz	OYCLQTIAKQJOTP-IBGZPJMESA-N	0	0	410.271	4.316	50	10		HICARN
CN(C)c1ccc([C@H](CNC(=O)NC2CCCCC2)N2CCc3ccccc32)cc1	ZINC000009529652	571266603	/nfs/dbraw/zinc/26/66/03/571266603.db2.gz	IRFIDQPXXBJVDG-DEOSSOPVSA-N	0	0	406.574	4.488	50	10		HICARN
CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(C)ccc3O)=NN12	ZINC000010214056	571296736	/nfs/dbraw/zinc/29/67/36/571296736.db2.gz	JYUHGVPZCDEWHU-HXUWFJFHSA-N	0	0	421.497	4.193	50	10		HICARN
Cc1ccc(-c2ccc(C=C3C(=O)OC(c4ccccc4)OC3=O)o2)c([N+](=O)[O-])c1	ZINC000002970605	845009536	/nfs/dbraw/zinc/00/95/36/845009536.db2.gz	RYVXBGQBFJXKMR-UHFFFAOYSA-N	0	0	405.362	4.345	50	10		HICARN
COc1cc(/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)ccc1OCCC(C)C	ZINC000033704595	848137539	/nfs/dbraw/zinc/13/75/39/848137539.db2.gz	DJCRMLYXXYCYKK-BFURNPMBSA-N	0	0	418.559	4.200	50	10		HICARN
Cc1ccc(C=CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)o1	ZINC000096499287	852549868	/nfs/dbraw/zinc/54/98/68/852549868.db2.gz	SCYNABYRRLKZQD-CLFYSBASSA-N	0	0	407.422	4.164	50	10		HICARN
CC(=O)N(c1nc(/C=C2\SC(=S)N(C)C2=O)cs1)c1cccc(C)c1C	ZINC000098002406	852649049	/nfs/dbraw/zinc/64/90/49/852649049.db2.gz	KWVPPQBJJLXOSR-NVNXTCNLSA-N	0	0	403.554	4.276	50	10		HICARN
O=C1S/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1Cl	ZINC000001005937	132234846	/nfs/dbraw/zinc/23/48/46/132234846.db2.gz	UUPOQNYRWYIRNN-UYRXBGFRSA-N	0	0	414.914	4.413	50	10		HICARN
O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C\c1ccccc1	ZINC000002432606	132254626	/nfs/dbraw/zinc/25/46/26/132254626.db2.gz	GAORSJJMLPCJRL-AQTBWJFISA-N	0	0	417.456	4.498	50	10		HICARN
COc1cc(OC)c(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1Cl	ZINC000005516079	132306401	/nfs/dbraw/zinc/30/64/01/132306401.db2.gz	CRQBAKVINUSBQS-UHFFFAOYSA-N	0	0	413.857	4.309	50	10		HICARN
CC1CCN(c2cc(N3CCOCC3)c3c4c2noc4-c2ccccc2C3=O)CC1	ZINC000006737874	132314079	/nfs/dbraw/zinc/31/40/79/132314079.db2.gz	NEFLMXJYVRVYHY-UHFFFAOYSA-N	0	0	403.482	4.112	50	10		HICARN
O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(c2ccccc2O)CC1	ZINC000008744897	132332947	/nfs/dbraw/zinc/33/29/47/132332947.db2.gz	LSIUKPUFAVWYRX-SDNWHVSQSA-N	0	0	405.542	4.135	50	10		HICARN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(-c2ccccc2)cc1	ZINC000008774342	132333276	/nfs/dbraw/zinc/33/32/76/132333276.db2.gz	ZEJGFBCZXOLCGZ-UHFFFAOYSA-N	0	0	416.521	4.228	50	10		HICARN
Cc1cc(C(=O)CN2CCN(c3ccccc3O)CC2)c(C)n1-c1ccc(C)cc1	ZINC000012609601	132365211	/nfs/dbraw/zinc/36/52/11/132365211.db2.gz	AYZRQAUZOYQIOF-UHFFFAOYSA-N	0	0	403.526	4.113	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(OC)c(Cl)c3)C2=N)S1	ZINC000032964078	519849624	/nfs/dbraw/zinc/84/96/24/519849624.db2.gz	BUJBUWAIGFTUCB-CHLNCNNDSA-N	0	0	413.890	4.168	50	10		HICARN
CC1CCN(C(=O)C2=CN(c3ccc4c(c3)CCC4)c3ccccc3S2(=O)=O)CC1	ZINC000044169826	520974824	/nfs/dbraw/zinc/97/48/24/520974824.db2.gz	MQEMQGFRNJBNJU-UHFFFAOYSA-N	0	0	422.550	4.201	50	10		HICARN
CC[C@@H](NC(=O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](CC)c1ccccc1O)c1ccccc1O	ZINC000242338979	522762738	/nfs/dbraw/zinc/76/27/38/522762738.db2.gz	ZDYQIOJGOKAJSA-DGQTTZFYSA-N	0	0	424.541	4.349	50	10		HICARN
Oc1ccc(Br)cc1CNc1ccc(I)cc1	ZINC000044836214	526343081	/nfs/dbraw/zinc/34/30/81/526343081.db2.gz	KDGKHUSRWLBVDO-UHFFFAOYSA-N	0	0	404.045	4.371	50	10		HICARN
Cc1csc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2C)n1	ZINC000044085597	526386123	/nfs/dbraw/zinc/38/61/23/526386123.db2.gz	FMMJRYHVVKRNKU-UHFFFAOYSA-N	0	0	423.361	4.345	50	10		HICARN
CC(C)Oc1ccccc1/C=C1/SC(N2CCN(c3ccccc3)CC2)=NC1=O	ZINC000001471527	535052407	/nfs/dbraw/zinc/05/24/07/535052407.db2.gz	NWVUWICDQXLSPM-LTGZKZEYSA-N	0	0	407.539	4.266	50	10		HICARN
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCOCC3)cc2)cc1	ZINC000007883854	536666663	/nfs/dbraw/zinc/66/66/63/536666663.db2.gz	GVCBNHFHVPJNRU-DEOSSOPVSA-N	0	0	415.493	4.303	50	10		HICARN
COc1ccc(-c2c(=O)c3ccc([O-])c(C[NH+](C)C)c3oc2C(F)(F)F)cc1OC	ZINC000000939992	557121069	/nfs/dbraw/zinc/12/10/69/557121069.db2.gz	RHCMKAFISRPRJH-UHFFFAOYSA-N	0	0	423.387	4.263	50	10	biogenic	HICARN
Cc1ccccc1COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(C)C1=O	ZINC000001180080	557230017	/nfs/dbraw/zinc/23/00/17/557230017.db2.gz	QJKKXFLHOMBEDP-LICLKQGHSA-N	0	0	400.481	4.313	50	10		HICARN
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)cc1	ZINC000001183459	557232349	/nfs/dbraw/zinc/23/23/49/557232349.db2.gz	GSTIXKXFAWRURK-QGOAFFKASA-N	0	0	412.536	4.321	50	10		HICARN
COCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S	ZINC000001795091	557288581	/nfs/dbraw/zinc/28/85/81/557288581.db2.gz	CHXUPIPEVCNITO-UYRXBGFRSA-N	0	0	415.536	4.122	50	10		HICARN
O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccc(Br)cc2)C1=O	ZINC000002452114	557349368	/nfs/dbraw/zinc/34/93/68/557349368.db2.gz	CXQXACWVBZEHID-YPKPFQOOSA-N	0	0	417.309	4.177	50	10		HICARN
CCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2	ZINC000002497693	557352543	/nfs/dbraw/zinc/35/25/43/557352543.db2.gz	QEEAJAKIFDWHQZ-OAQYLSRUSA-N	0	0	421.526	4.161	50	10		HICARN
CCCCCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(N(CC)CC)cc1	ZINC000004042872	557507475	/nfs/dbraw/zinc/50/74/75/557507475.db2.gz	LIFBZIOBGVUSSG-FQEVSTJZSA-N	0	0	403.592	4.449	50	10		HICARN
O=C1N=C(Nc2ccc(Br)cc2)SC1=Cc1ccc2c(c1)OCO2	ZINC000005551738	557661114	/nfs/dbraw/zinc/66/11/14/557661114.db2.gz	QNEPJGMJYVDPLI-NVNXTCNLSA-N	0	0	403.257	4.260	50	10		HICARN
COC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)c2=O)cc1	ZINC000020437799	558363195	/nfs/dbraw/zinc/36/31/95/558363195.db2.gz	YLDNFHXYLOOKQP-HNNXBMFYSA-N	0	0	423.465	4.309	50	10		HICARN
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1cccc(F)c1	ZINC000012629292	558441107	/nfs/dbraw/zinc/44/11/07/558441107.db2.gz	VHBZRISVKUBQPQ-NHDPSOOVSA-N	0	0	407.420	4.465	50	10		HICARN
O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1nccs1	ZINC000013576699	558543604	/nfs/dbraw/zinc/54/36/04/558543604.db2.gz	VIWXNOBHPBLXRY-XFXZXTDPSA-N	0	0	409.945	4.027	50	10		HICARN
COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2cccc(O)c2)C1=O	ZINC000013689943	558572147	/nfs/dbraw/zinc/57/21/47/558572147.db2.gz	JQSAOCHTKBQXQP-MHWRWJLKSA-N	0	0	410.476	4.066	50	10		HICARN
O=C1N=C(N2CCCC2)S/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000013777547	558592693	/nfs/dbraw/zinc/59/26/93/558592693.db2.gz	YMLHTPJMUAFYMN-UYRXBGFRSA-N	0	0	409.467	4.240	50	10		HICARN
Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cc([N+](=O)[O-])ccc1C	ZINC000013810924	558595852	/nfs/dbraw/zinc/59/58/52/558595852.db2.gz	GAPFTJLFMJAZMC-LJIXVHKCSA-N	0	0	421.482	4.478	50	10		HICARN
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccccc1Cl	ZINC000013940706	558604273	/nfs/dbraw/zinc/60/42/73/558604273.db2.gz	VOTYEXGSMVJVPC-MHWRWJLKSA-N	0	0	419.911	4.399	50	10		HICARN
COc1ccc(OCCOc2ccc(Cl)cc2C=C2SC(=S)NC2=O)cc1	ZINC000015800644	558754229	/nfs/dbraw/zinc/75/42/29/558754229.db2.gz	LOISPBPWJNOXHI-BOPFTXTBSA-N	0	0	421.927	4.295	50	10		HICARN
Oc1ccc(Br)cc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000004980669	558781237	/nfs/dbraw/zinc/78/12/37/558781237.db2.gz	MWZAEYNARAMNKQ-UHFFFAOYSA-N	0	0	415.253	4.496	50	10		HICARN
CN1c2ccccc2C(=C2SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)C1=O	ZINC000016901375	558809059	/nfs/dbraw/zinc/80/90/59/558809059.db2.gz	LMRPAYCNWPBXSO-PFONDFGASA-N	0	0	403.385	4.134	50	10		HICARN
O=C1/C(=C/c2ccc3c(c2)OCO3)N=C(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1	ZINC000004611198	558853872	/nfs/dbraw/zinc/85/38/72/558853872.db2.gz	VKHKELADEJMBLV-UNOMPAQXSA-N	0	0	413.389	4.158	50	10		HICARN
COc1cc(Br)cc(CN2CCN(c3cccc(C)c3C)CC2)c1O	ZINC000055292190	558878705	/nfs/dbraw/zinc/87/87/05/558878705.db2.gz	OFEVEIUHJHAXKB-UHFFFAOYSA-N	0	0	405.336	4.102	50	10		HICARN
COc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1F	ZINC000058158916	558904241	/nfs/dbraw/zinc/90/42/41/558904241.db2.gz	CAMIQKMOEJCLFO-XYJBSGBBSA-N	0	0	412.505	4.121	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1	ZINC000004696423	558905846	/nfs/dbraw/zinc/90/58/46/558905846.db2.gz	BHSMIKZLVIOGGY-STZFKDTASA-N	0	0	419.477	4.474	50	10		HICARN
CN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1	ZINC000065004557	558969242	/nfs/dbraw/zinc/96/92/42/558969242.db2.gz	UXSJUSWHCXXNFQ-UHFFFAOYSA-N	0	0	417.556	4.215	50	10		HICARN
Cc1nn2c(ncc(C(=O)NCc3ccc(N(C)C)cc3)c2C)c1-c1cccc(C)c1	ZINC000021914572	558971439	/nfs/dbraw/zinc/97/14/39/558971439.db2.gz	INMPSQZCHVEKII-UHFFFAOYSA-N	0	0	413.525	4.318	50	10		HICARN
COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)C(C)(C)C)CC2)cc1	ZINC000023181548	559031473	/nfs/dbraw/zinc/03/14/73/559031473.db2.gz	HBALENVETKAKHR-DYESRHJHSA-N	0	0	415.603	4.171	50	10		HICARN
O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1cccc(Cl)c1	ZINC000033286157	559043685	/nfs/dbraw/zinc/04/36/85/559043685.db2.gz	BIQJDPPUWHETRL-WCSRMQSCSA-N	0	0	420.855	4.383	50	10		HICARN
CN(C)c1ccc(CNC(=O)CSc2nccnc2Sc2ccccc2)cc1	ZINC000033288915	559044453	/nfs/dbraw/zinc/04/44/53/559044453.db2.gz	KOLQKFNEVKXUJR-UHFFFAOYSA-N	0	0	410.568	4.102	50	10		HICARN
Cc1cc(=O)oc2cc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)ccc12	ZINC000050055274	559178520	/nfs/dbraw/zinc/17/85/20/559178520.db2.gz	FWFFAVYQPFUDPB-SFHVURJKSA-N	0	0	408.454	4.020	50	10		HICARN
CCOC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(OC)cc1OC	ZINC000100249894	559187312	/nfs/dbraw/zinc/18/73/12/559187312.db2.gz	YOTMRLWPRHUZGK-VBKFSLOCSA-N	0	0	401.850	4.050	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4)c(Cl)c3)C(=N)N2O1	ZINC000005013852	559228212	/nfs/dbraw/zinc/22/82/12/559228212.db2.gz	FSAJIUUJQGEKJY-CPWDNUMFSA-N	0	0	407.813	4.010	50	10		HICARN
CN(C)c1ccc([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)[NH+]2CCCC2)cc1	ZINC000005097980	559245204	/nfs/dbraw/zinc/24/52/04/559245204.db2.gz	PLGNUWABYKGAPR-FQEVSTJZSA-N	0	0	405.464	4.338	50	10		HICARN
N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(CCC3CCCCC3)=NN21	ZINC000005159919	559270041	/nfs/dbraw/zinc/27/00/41/559270041.db2.gz	RNYFPIDMDYQKDU-LQFYYXEQSA-N	0	0	410.499	4.395	50	10		HICARN
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\C=C/c1ccc(N(C)C)cc1	ZINC000005523230	560605313	/nfs/dbraw/zinc/60/53/13/560605313.db2.gz	FHNZMJZCGJTZER-WXDLUPOPSA-N	0	0	416.521	4.224	50	10		HICARN
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)SC2=S)cc1	ZINC000004832927	560609159	/nfs/dbraw/zinc/60/91/59/560609159.db2.gz	XPHBHOFRJLZQLG-MHWRWJLKSA-N	0	0	402.453	4.018	50	10		HICARN
O=C(C1=CN(c2cccc(Cl)c2)c2ccccc2S1(=O)=O)N1CCCCC1	ZINC000048989047	568444179	/nfs/dbraw/zinc/44/41/79/568444179.db2.gz	GPTOVQHHNWLLLI-UHFFFAOYSA-N	0	0	402.903	4.119	50	10		HICARN
Cc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1	ZINC000049003836	568446532	/nfs/dbraw/zinc/44/65/32/568446532.db2.gz	AVYBCNKKMJNEGZ-UHFFFAOYSA-N	0	0	402.903	4.038	50	10		HICARN
CC1=CSC2=NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=N)N12	ZINC000049652921	568453180	/nfs/dbraw/zinc/45/31/80/568453180.db2.gz	FBDJNIUMKBRWQV-HSFPQDBWSA-N	0	0	413.300	4.407	50	10		HICARN
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(Cl)c1Cl	ZINC000000797876	568482805	/nfs/dbraw/zinc/48/28/05/568482805.db2.gz	GFFWIXFLVBWBJD-DHDCSXOGSA-N	0	0	403.265	4.261	50	10		HICARN
CCOC(=O)C=CC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	ZINC000025394249	568523025	/nfs/dbraw/zinc/52/30/25/568523025.db2.gz	VYTAMULGSIQIIE-BQYQJAHWSA-N	0	0	424.280	4.246	50	10		HICARN
N=C1/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(c3ccco3)=NN21	ZINC000020210679	568594425	/nfs/dbraw/zinc/59/44/25/568594425.db2.gz	NAQWEOOTGGRTQH-WQCWKDQBSA-N	0	0	421.869	4.391	50	10		HICARN
Cn1cc(/C=C(\NC(=O)c2ccco2)C(=O)N2CCc3ccccc32)c2ccccc21	ZINC000020439291	568607382	/nfs/dbraw/zinc/60/73/82/568607382.db2.gz	GPBUOKOJOLPBGJ-HKWRFOASSA-N	0	0	411.461	4.132	50	10		HICARN
Cc1cccc(N2CCN(C3(c4ccccc4)C(=O)c4ccccc4C3=O)CC2)c1C	ZINC000020575068	568635381	/nfs/dbraw/zinc/63/53/81/568635381.db2.gz	WOHABMASEVKNAO-UHFFFAOYSA-N	0	0	410.517	4.400	50	10		HICARN
CCN1CC[NH+](Cc2c([O-])ccc3c(C)c(-c4ccc(Cl)cc4)c(=O)oc32)CC1	ZINC000020605111	568636281	/nfs/dbraw/zinc/63/62/81/568636281.db2.gz	SNLNXRWFKVKCEJ-UHFFFAOYSA-N	0	0	412.917	4.265	50	10		HICARN
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2ccc(-n3cnnn3)cc2)o1	ZINC000096306189	568723590	/nfs/dbraw/zinc/72/35/90/568723590.db2.gz	CIQYECFOPHDSBV-BKUYFWCQSA-N	0	0	410.437	4.037	50	10		HICARN
COC(=O)c1ccc(/C=C2\SC(=S)N(CNc3ccc(Cl)cc3)C2=O)cc1	ZINC000021965182	568764125	/nfs/dbraw/zinc/76/41/25/568764125.db2.gz	CJDISEWFSJSINZ-YBEGLDIGSA-N	0	0	418.927	4.397	50	10		HICARN
CC[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S	ZINC000001183378	568822028	/nfs/dbraw/zinc/82/20/28/568822028.db2.gz	LQWHBOYPKXABON-OLCHLOJWSA-N	0	0	402.585	4.377	50	10		HICARN
O=C1/C(=C\c2ccc(I)o2)SC(=S)N1C1CCCCC1	ZINC000001206736	568823875	/nfs/dbraw/zinc/82/38/75/568823875.db2.gz	DFIPSXJPWWCTCV-DHZHZOJOSA-N	0	0	419.309	4.418	50	10		HICARN
O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cc(Cl)ccc1O	ZINC000001798919	568835852	/nfs/dbraw/zinc/83/58/52/568835852.db2.gz	XNTFLBNEFKZANV-ZROIWOOFSA-N	0	0	424.956	4.337	50	10		HICARN
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1	ZINC000057547839	568852772	/nfs/dbraw/zinc/85/27/72/568852772.db2.gz	NPMWPUQBJSCNAS-AWEZNQCLSA-N	0	0	408.329	4.151	50	10		HICARN
CCOc1ccc(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc1OC	ZINC000004193762	568950916	/nfs/dbraw/zinc/95/09/16/568950916.db2.gz	CEQDYBUYPOUBHF-UNOMPAQXSA-N	0	0	411.483	4.135	50	10		HICARN
C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(Cl)s3)cc2F)C[C@H](C)O1	ZINC000084713584	568956699	/nfs/dbraw/zinc/95/66/99/568956699.db2.gz	YOIFNIGGFUIFIM-STQMWFEESA-N	0	0	411.930	4.154	50	10		HICARN
O=C(NN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S)c1ccc(Cl)cc1	ZINC000001476276	569000269	/nfs/dbraw/zinc/00/02/69/569000269.db2.gz	YQQPHDAOOJORED-CXUHLZMHSA-N	0	0	413.911	4.368	50	10		HICARN
CCCCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCc2cc(OC)c(OC)cc2C1	ZINC000085879460	569009799	/nfs/dbraw/zinc/00/97/99/569009799.db2.gz	FCORHIQRAZOCJR-UHFFFAOYSA-N	0	0	423.509	4.417	50	10		HICARN
CCOC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000101792726	569018946	/nfs/dbraw/zinc/01/89/46/569018946.db2.gz	IVBXEUAUAGLHLB-CPNJWEJPSA-N	0	0	410.495	4.166	50	10		HICARN
COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	ZINC000016268470	569030360	/nfs/dbraw/zinc/03/03/60/569030360.db2.gz	HPZFZOSUQRQDBE-NVNXTCNLSA-N	0	0	405.281	4.361	50	10		HICARN
CC(=O)Nc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	ZINC000006347705	569044562	/nfs/dbraw/zinc/04/45/62/569044562.db2.gz	PKXVXXFNNCKRIA-UHFFFAOYSA-N	0	0	408.429	4.231	50	10		HICARN
COc1c2ccc(Cl)cc2sc1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000064756821	569089904	/nfs/dbraw/zinc/08/99/04/569089904.db2.gz	XKMHDXPTIOVVNE-UHFFFAOYSA-N	0	0	416.930	4.330	50	10		HICARN
CCN(CC)c1ccc(CN(C(=O)CC(C)(C)C)C2CC2)c(OS(=O)(=O)CC)c1	ZINC000006711009	569096705	/nfs/dbraw/zinc/09/67/05/569096705.db2.gz	GWTLXVCXVNCGPJ-UHFFFAOYSA-N	0	0	424.607	4.189	50	10		HICARN
CC(C)c1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)c1	ZINC000065096260	569176756	/nfs/dbraw/zinc/17/67/56/569176756.db2.gz	JABHHWVQGOJBHX-UHFFFAOYSA-N	0	0	414.502	4.338	50	10		HICARN
CCOC(=O)N1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@@H](c1ccccc1O)N2	ZINC000065297934	569219245	/nfs/dbraw/zinc/21/92/45/569219245.db2.gz	FKEYOYRVIWAEMN-QFIPXVFZSA-N	0	0	421.541	4.481	50	10		HICARN
COC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1	ZINC000007423331	569237819	/nfs/dbraw/zinc/23/78/19/569237819.db2.gz	ZXKMIBQFCHIGDU-UHFFFAOYSA-N	0	0	415.902	4.258	50	10		HICARN
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1O	ZINC000013914952	569258208	/nfs/dbraw/zinc/25/82/08/569258208.db2.gz	QDYJOMLAQFVTMS-DHDCSXOGSA-N	0	0	401.260	4.360	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1	ZINC000002305235	569372430	/nfs/dbraw/zinc/37/24/30/569372430.db2.gz	NTRBACHIWCJWHN-PDGQHHTCSA-N	0	0	411.841	4.004	50	10		HICARN
Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000013071190	569408570	/nfs/dbraw/zinc/40/85/70/569408570.db2.gz	VOKJYOLVBDKJDN-UPCLLVRISA-N	0	0	407.514	4.086	50	10		HICARN
COc1ccc(C2=C/C(=C/c3cc(Br)c(OC)c(OC)c3)C(=O)O2)cc1	ZINC000013371365	569412965	/nfs/dbraw/zinc/41/29/65/569412965.db2.gz	YXINLHUDWGPELR-ZSOIEALJSA-N	0	0	417.255	4.456	50	10		HICARN
CCCCc1ccc(NCc2c(O)ccc3c(C)c(CC(=O)OC)c(=O)oc32)cc1	ZINC000008792556	571120093	/nfs/dbraw/zinc/12/00/93/571120093.db2.gz	KVBURRVVRNKROC-UHFFFAOYSA-N	0	0	409.482	4.477	50	10		HICARN
O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccc([N+](=O)[O-])cc1	ZINC000008922395	571159007	/nfs/dbraw/zinc/15/90/07/571159007.db2.gz	CIQAYSXXNLSUKB-UHFFFAOYSA-N	0	0	423.410	4.031	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccnc2)c1	ZINC000245297679	571223618	/nfs/dbraw/zinc/22/36/18/571223618.db2.gz	WKSDBLBRXRREHS-CVDCTZTESA-N	0	0	403.438	4.047	50	10		HICARN
COc1ccc(-n2c(C)cc(CNC(=O)Nc3cc(OC)ccc3OC)c2C)cc1	ZINC000009228638	571239449	/nfs/dbraw/zinc/23/94/49/571239449.db2.gz	ROZPKTVVHZEAQK-UHFFFAOYSA-N	0	0	409.486	4.442	50	10		HICARN
CCN1C(=O)/C(=C/c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)SC1=S	ZINC000009310653	571247210	/nfs/dbraw/zinc/24/72/10/571247210.db2.gz	KOUMFUXOSIXAIR-XNTDXEJSSA-N	0	0	417.468	4.012	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000009764474	571284911	/nfs/dbraw/zinc/28/49/11/571284911.db2.gz	FOYDZJKBBHWUOO-UHFFFAOYSA-N	0	0	418.409	4.409	50	10		HICARN
O=C(COc1ccccc1)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1O	ZINC000002921421	845009504	/nfs/dbraw/zinc/00/95/04/845009504.db2.gz	LRBZWXYIDAWDGK-HXUWFJFHSA-N	0	0	408.841	4.471	50	10		HICARN
O=C(Cc1cccc2ccccc21)NN1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000005523863	845121608	/nfs/dbraw/zinc/12/16/08/845121608.db2.gz	GHOWVFLBRIPFRF-SFQUDFHCSA-N	0	0	410.545	4.376	50	10		HICARN
Cc1cccc(OCC2=NN3C(=NC(=O)/C(=C/c4c[nH]c5ccccc45)C3=N)S2)c1	ZINC000020235394	846382599	/nfs/dbraw/zinc/38/25/99/846382599.db2.gz	UJGCQYCTMIJCON-ZZYMSUEGSA-N	0	0	415.478	4.174	50	10		HICARN
O=C1N=C(N2CCCCC2)S/C1=C\c1cc(Br)c2c(c1)OCCCO2	ZINC000098055428	852651284	/nfs/dbraw/zinc/65/12/84/852651284.db2.gz	UMXMRKYDVSOGGS-PTNGSMBKSA-N	0	0	423.332	4.067	50	10		HICARN
CCCCCOc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1OC	ZINC000102678066	852665648	/nfs/dbraw/zinc/66/56/48/852665648.db2.gz	BKMJULWCKFAEEM-PAXPMQMASA-N	0	0	418.559	4.344	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](c3noc(-c4ccccn4)n3)C2)cc1	ZINC000169773313	853661089	/nfs/dbraw/zinc/66/10/89/853661089.db2.gz	OAKHMVIBEWMMOH-IBGZPJMESA-N	0	0	413.481	4.169	50	10		HICARN
CCc1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)o2)cc1	ZINC000002756178	132257810	/nfs/dbraw/zinc/25/78/10/132257810.db2.gz	ALKBAANUIHPDHZ-UHFFFAOYSA-N	0	0	420.509	4.392	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c([N+](=O)[O-])c1	ZINC000004125192	132271900	/nfs/dbraw/zinc/27/19/00/132271900.db2.gz	QVEAYYZOQYLBFR-UHFFFAOYSA-N	0	0	417.465	4.233	50	10		HICARN
CCOC(=O)c1cc(NCc2ccc(N(CC)CC)cc2)ccc1N1CCOCC1	ZINC000004705484	132284480	/nfs/dbraw/zinc/28/44/80/132284480.db2.gz	GUVKKJSMMAASDE-UHFFFAOYSA-N	0	0	411.546	4.158	50	10		HICARN
O=C1C(=Cc2ccccc2O)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	ZINC000006575957	132311800	/nfs/dbraw/zinc/31/18/00/132311800.db2.gz	SDTALRHFJRPGMX-UHFFFAOYSA-N	0	0	400.459	4.141	50	10		HICARN
CCN1CCN(c2cc(NCC(C)C)c3c4c2noc4-c2ccccc2C3=O)CC1	ZINC000006737907	132314131	/nfs/dbraw/zinc/31/41/31/132314131.db2.gz	VGIUPRIALZGTAL-UHFFFAOYSA-N	0	0	404.514	4.249	50	10		HICARN
COc1ccc(N2CSC3=N/C(=C\c4ccccc4Cl)C(=O)N3C2)cc1OC	ZINC000012321680	132358503	/nfs/dbraw/zinc/35/85/03/132358503.db2.gz	AHWYLKJPFOGTNX-SXGWCWSVSA-N	0	0	415.902	4.065	50	10		HICARN
CCCOc1ccccc1/C=C1\SC(N2CCN(c3ccccc3)CC2)=NC1=O	ZINC000012437201	132359920	/nfs/dbraw/zinc/35/99/20/132359920.db2.gz	YYBQPFZSKUEXGC-FXBPSFAMSA-N	0	0	407.539	4.268	50	10		HICARN
COc1cc(/C=C2/C(=O)N=C3Sc4cc(C)c(C)cc4N3C2=N)cc(OC)c1OC	ZINC000032005481	521945826	/nfs/dbraw/zinc/94/58/26/521945826.db2.gz	XDXJQXFDUXWYSG-XMEMDPLDSA-N	0	0	423.494	4.198	50	10		HICARN
O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1cccc2cccnc21	ZINC000032623760	526706523	/nfs/dbraw/zinc/70/65/23/526706523.db2.gz	SJQKUZIPGUUXRK-BOPFTXTBSA-N	0	0	423.494	4.214	50	10		HICARN
COc1ccc(N2CCN(C(=O)CSc3cc(C)c4cccc(C)c4n3)CC2)cc1	ZINC000005361123	536682524	/nfs/dbraw/zinc/68/25/24/536682524.db2.gz	XGDSYHOEWIUZAF-UHFFFAOYSA-N	0	0	421.566	4.301	50	10		HICARN
COc1ccc(N2CCN(C(=S)N[C@H](C)C34CC5CC(CC(C5)C3)C4)CC2)cc1	ZINC000004687492	536692881	/nfs/dbraw/zinc/69/28/81/536692881.db2.gz	QCZBETCYIVEVIA-OQOKOFKUSA-N	0	0	413.631	4.297	50	10		HICARN
COCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc(N(C)C)cc1)N2c1ccc(F)cc1	ZINC000004708434	536703951	/nfs/dbraw/zinc/70/39/51/536703951.db2.gz	BDOGBBUGGPOAOM-JOCHJYFZSA-N	0	0	420.488	4.322	50	10		HICARN
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1F	ZINC000000660145	557043024	/nfs/dbraw/zinc/04/30/24/557043024.db2.gz	AJXBPUXRZKWEEX-YBEGLDIGSA-N	0	0	416.246	4.465	50	10		HICARN
COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)cc(Br)c1O	ZINC000000997892	557138814	/nfs/dbraw/zinc/13/88/14/557138814.db2.gz	DTXYXMSRVHYLJL-OVCLIPMQSA-N	0	0	401.260	4.278	50	10		HICARN
COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1	ZINC000001013805	557142521	/nfs/dbraw/zinc/14/25/21/557142521.db2.gz	NYAKNTBPJMXYFN-ATVHPVEESA-N	0	0	416.499	4.064	50	10		HICARN
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)S1	ZINC000001146586	557208217	/nfs/dbraw/zinc/20/82/17/557208217.db2.gz	CUNRJVWTHQERGK-MFOYZWKCSA-N	0	0	404.850	4.165	50	10		HICARN
CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)OC23CCCCC3)sc2c1CCCC2	ZINC000001161518	557218456	/nfs/dbraw/zinc/21/84/56/557218456.db2.gz	CFNROUXGDAOCPY-CQSZACIVSA-N	0	0	405.516	4.008	50	10	biogenic	HICARN
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	ZINC000001171434	557224324	/nfs/dbraw/zinc/22/43/24/557224324.db2.gz	BUOCOYLLPODLCO-DEOSSOPVSA-N	0	0	413.521	4.358	50	10		HICARN
COc1cccc(C=C2SC(=S)NC2=O)c1OCCCOc1ccccc1C	ZINC000002878257	557418037	/nfs/dbraw/zinc/41/80/37/557418037.db2.gz	QPHJRCXJEFXSLD-QGOAFFKASA-N	0	0	415.536	4.340	50	10		HICARN
COc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC	ZINC000004553165	557566378	/nfs/dbraw/zinc/56/63/78/557566378.db2.gz	LIIODXKQJNFVAT-OQLLNIDSSA-N	0	0	401.260	4.272	50	10		HICARN
CCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2c1CC[C@@H](c1ccccc1)C2	ZINC000022666734	557720076	/nfs/dbraw/zinc/72/00/76/557720076.db2.gz	ALRXJGXIBDFMDD-OAHLLOKOSA-N	0	0	415.511	4.089	50	10		HICARN
CC(C)N1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)N(Cc2ccco2)C1=O	ZINC000008431387	557788440	/nfs/dbraw/zinc/78/84/40/557788440.db2.gz	BVMWINNKYHHXMG-NTEUORMPSA-N	0	0	422.268	4.282	50	10		HICARN
CC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)cc1	ZINC000012380141	558393172	/nfs/dbraw/zinc/39/31/72/558393172.db2.gz	ADIPNHVGSIWTIJ-LFIBNONCSA-N	0	0	416.549	4.181	50	10		HICARN
CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=C1\SC(=S)N(CC)C1=O	ZINC000012631845	558442121	/nfs/dbraw/zinc/44/21/21/558442121.db2.gz	UWUPYFICBRTQGS-ICFOKQHNSA-N	0	0	414.552	4.219	50	10		HICARN
Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1-c1ccc(F)c(Cl)c1	ZINC000013069775	558511147	/nfs/dbraw/zinc/51/11/47/558511147.db2.gz	FBHUJCXGPWQONV-UHFFFAOYSA-N	0	0	409.852	4.423	50	10		HICARN
COc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1	ZINC000013555980	558540186	/nfs/dbraw/zinc/54/01/86/558540186.db2.gz	VKRAPRWRYOAILR-HMAPJEAMSA-N	0	0	401.466	4.196	50	10		HICARN
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(C)cc1	ZINC000013576109	558543442	/nfs/dbraw/zinc/54/34/42/558543442.db2.gz	CYSXPMJCECXCDZ-PDGQHHTCSA-N	0	0	413.520	4.444	50	10		HICARN
CC(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc32)CC1	ZINC000010909865	558558508	/nfs/dbraw/zinc/55/85/08/558558508.db2.gz	UFSHJMBZGRAXRI-XMMPIXPASA-N	0	0	402.494	4.010	50	10		HICARN
CN(C)c1ccc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)cc1	ZINC000013752280	558590116	/nfs/dbraw/zinc/59/01/16/558590116.db2.gz	SZWHHTNRXMZWFL-SABKFZPKSA-N	0	0	421.551	4.263	50	10		HICARN
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O)cc1	ZINC000013773512	558592093	/nfs/dbraw/zinc/59/20/93/558592093.db2.gz	KFPSWZOLMPYHIP-VBKFSLOCSA-N	0	0	415.540	4.166	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2c(C)cc(=O)oc2C)c(C)n1-c1ccc(C)c(F)c1	ZINC000026013113	558653631	/nfs/dbraw/zinc/65/36/31/558653631.db2.gz	LTMBEWUBEFNQHK-UHFFFAOYSA-N	0	0	411.429	4.151	50	10		HICARN
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(Cl)cc1	ZINC000015011521	558700569	/nfs/dbraw/zinc/70/05/69/558700569.db2.gz	BWHNHGFBNDYJIP-MHWRWJLKSA-N	0	0	419.911	4.399	50	10		HICARN
CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccccc1	ZINC000004551293	558703897	/nfs/dbraw/zinc/70/38/97/558703897.db2.gz	WFRHQSNEYPLIGD-AQTBWJFISA-N	0	0	401.509	4.032	50	10		HICARN
O=C(c1ccco1)N1CCN(Cc2cc(-c3nc4ccccc4s3)ccc2O)CC1	ZINC000015068140	558710596	/nfs/dbraw/zinc/71/05/96/558710596.db2.gz	AQDDJBRVYCPQPD-UHFFFAOYSA-N	0	0	419.506	4.220	50	10		HICARN
CCN1C(=O)/C(=C/C=C2/Sc3ccc4ccccc4c3N2CCO)SC1=S	ZINC000032666590	558755278	/nfs/dbraw/zinc/75/52/78/558755278.db2.gz	OBDZXKUEZRGZQN-ZAGBYUSBSA-N	0	0	414.577	4.350	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3)C2=O)cc1	ZINC000016806760	558807619	/nfs/dbraw/zinc/80/76/19/558807619.db2.gz	MVYZMRXSWMOHIS-JXAWBTAJSA-N	0	0	412.536	4.315	50	10		HICARN
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1C[C@H]1CCCO1	ZINC000013739328	558862457	/nfs/dbraw/zinc/86/24/57/558862457.db2.gz	IBUSPESPUDCXKV-DISPHTKASA-N	0	0	416.480	4.235	50	10		HICARN
COc1ccccc1NC(=O)c1ccc2c(c1SC)C(=O)c1ccccc1C2=O	ZINC000004717935	558915996	/nfs/dbraw/zinc/91/59/96/558915996.db2.gz	LXAGMPICVFVBGG-UHFFFAOYSA-N	0	0	403.459	4.445	50	10		HICARN
CCN(CC)C(=O)CCCCCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S	ZINC000004719505	558919007	/nfs/dbraw/zinc/91/90/07/558919007.db2.gz	FOEDMXGUDHIODM-OBGWFSINSA-N	0	0	420.600	4.325	50	10		HICARN
COc1ccc(/C=C2/C(=O)N(c3ccc(I)cc3)N=C2C)cc1	ZINC000100869008	559141455	/nfs/dbraw/zinc/14/14/55/559141455.db2.gz	VWXPJFMDBSTNBX-GZTJUZNOSA-N	0	0	418.234	4.106	50	10		HICARN
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1Br	ZINC000004888600	559197763	/nfs/dbraw/zinc/19/77/63/559197763.db2.gz	SRTZFEUTLOWDPA-UHFFFAOYSA-N	0	0	406.235	4.477	50	10		HICARN
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1	ZINC000033793677	559246915	/nfs/dbraw/zinc/24/69/15/559246915.db2.gz	DCUYJUQMRJGUBJ-WSRSWEMPSA-N	0	0	407.499	4.132	50	10		HICARN
COc1ccc(Nc2cc(N3CCCC3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1	ZINC000005482723	560596231	/nfs/dbraw/zinc/59/62/31/560596231.db2.gz	YKQCETRAWFQBMX-UHFFFAOYSA-N	0	0	413.477	4.397	50	10		HICARN
COc1ccc(Oc2cc(NCCO)c3c4c2noc4-c2ccccc2C3=O)cc1	ZINC000005483493	560596443	/nfs/dbraw/zinc/59/64/43/560596443.db2.gz	XDEAPGHHWJUBKA-UHFFFAOYSA-N	0	0	402.406	4.244	50	10		HICARN
COC(=O)C1=NN(c2ccccc2)C(=O)C(=NNc2cccc(C(F)(F)F)c2)C1=O	ZINC000100913720	560762824	/nfs/dbraw/zinc/76/28/24/560762824.db2.gz	WEZORHASZDUBMY-VHXPQNKSSA-N	0	0	418.331	4.159	50	10		HICARN
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(I)cc1	ZINC000018178585	560781555	/nfs/dbraw/zinc/78/15/55/560781555.db2.gz	LHSAMMSYDNDGHV-BOPFTXTBSA-N	0	0	417.250	4.318	50	10		HICARN
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1I	ZINC000102570270	560816611	/nfs/dbraw/zinc/81/66/11/560816611.db2.gz	UZOQBNJOKCBJTR-SDNWHVSQSA-N	0	0	403.223	4.010	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(O)cc2)c1	ZINC000103563444	560843300	/nfs/dbraw/zinc/84/33/00/560843300.db2.gz	XCKZNQNVQYNNDU-YKSBVNFPSA-N	0	0	418.449	4.357	50	10		HICARN
O=C(C1=CN(c2ccc(Cl)cc2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1	ZINC000049003935	568446648	/nfs/dbraw/zinc/44/66/48/568446648.db2.gz	RKCPOGAPYIJJHW-UHFFFAOYSA-N	0	0	420.893	4.258	50	10		HICARN
COc1ccc2c3c(n(Cc4csc(C)n4)c(=O)c2c1OC)-c1ccccc1C3=O	ZINC000604404850	568492523	/nfs/dbraw/zinc/49/25/23/568492523.db2.gz	TVNRALOXKWYLSG-UHFFFAOYSA-N	0	0	418.474	4.043	50	10		HICARN
COc1cc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)ccc1O	ZINC000020071028	568587731	/nfs/dbraw/zinc/58/77/31/568587731.db2.gz	NEOSSCDJYFVEOF-UUOWRZLLSA-N	0	0	418.449	4.357	50	10		HICARN
Cc1cccc(N2CCN(C3(c4ccccc4)C(=O)c4ccccc4C3=O)C[C@@H]2C)c1	ZINC000020178041	568592869	/nfs/dbraw/zinc/59/28/69/568592869.db2.gz	CWGYDRBVZNLKMY-FQEVSTJZSA-N	0	0	410.517	4.480	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4Cl)cc3)C(=N)N2O1	ZINC000020236277	568595619	/nfs/dbraw/zinc/59/56/19/568595619.db2.gz	STYAARWDZLDJBI-XJKKKVNGSA-N	0	0	423.856	4.248	50	10		HICARN
CC[C@H](C)N1C(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC1=S	ZINC000020310816	568598550	/nfs/dbraw/zinc/59/85/50/568598550.db2.gz	IPWUQEQEXLYLPZ-RVAQLADHSA-N	0	0	413.568	4.071	50	10		HICARN
COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[NH+]3CCCCC3)c2=O)cc1OC	ZINC000020412049	568605453	/nfs/dbraw/zinc/60/54/53/568605453.db2.gz	BFNVJYADLRVKND-UHFFFAOYSA-N	0	0	409.482	4.477	50	10		HICARN
COC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[NH+]3CCCCC3)c2=O)cc1	ZINC000020438524	568607429	/nfs/dbraw/zinc/60/74/29/568607429.db2.gz	FIWIPIOCGSXUTE-UHFFFAOYSA-N	0	0	409.438	4.063	50	10		HICARN
O=C1/C(=C/c2ccc(I)o2)SC(=S)N1c1ccccc1	ZINC000001204820	568823696	/nfs/dbraw/zinc/82/36/96/568823696.db2.gz	UBDRXNDJHAOKPW-FLIBITNWSA-N	0	0	413.261	4.290	50	10		HICARN
COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1	ZINC000001217320	568836592	/nfs/dbraw/zinc/83/65/92/568836592.db2.gz	GVMXTQUKKVIVKL-VBKFSLOCSA-N	0	0	418.565	4.377	50	10		HICARN
Cc1cccc(C2=NN3C(=NC(=O)/C(=C/c4ccc(Br)o4)C3=N)S2)c1	ZINC000003867726	568869054	/nfs/dbraw/zinc/86/90/54/568869054.db2.gz	RNYHTNNGLGSIMK-KBVRANJKSA-N	0	0	415.272	4.018	50	10		HICARN
Cc1cc(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(C)n1-c1ccc(F)cc1	ZINC000003317613	568879627	/nfs/dbraw/zinc/87/96/27/568879627.db2.gz	LFUHKPGOLYIBHV-UHFFFAOYSA-N	0	0	414.502	4.045	50	10		HICARN
Cc1cc(C(=O)COC(=O)Cn2cnc3ccccc32)c(C)n1-c1ccc(C)c(C)c1	ZINC000003358641	568887408	/nfs/dbraw/zinc/88/74/08/568887408.db2.gz	HNFSUAHGZSOAQB-UHFFFAOYSA-N	0	0	415.493	4.487	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2ccc(F)cc2F)c(C)n1-c1ccc2c(c1)OCO2	ZINC000003435164	568902488	/nfs/dbraw/zinc/90/24/88/568902488.db2.gz	MJIKFRRJLAUFAT-UHFFFAOYSA-N	0	0	413.376	4.141	50	10		HICARN
O=C1Nc2ccccc2/C1=C1\SC(=S)N(c2cccc(Br)c2)C1=O	ZINC000001300962	568913179	/nfs/dbraw/zinc/91/31/79/568913179.db2.gz	IXKHDYNHSBGDEQ-BUHFOSPRSA-N	0	0	417.309	4.177	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(OC)c4)c3C)C2=N)S1	ZINC000006569691	569066468	/nfs/dbraw/zinc/06/64/68/569066468.db2.gz	CXDMXYUQMZAFTO-OTHHCBNDSA-N	0	0	407.499	4.132	50	10		HICARN
Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)n1	ZINC000027026825	569071010	/nfs/dbraw/zinc/07/10/10/569071010.db2.gz	JPWZRQQTYFKUFC-PTNGSMBKSA-N	0	0	417.943	4.273	50	10		HICARN
COc1ccc2c3c(n(CCc4ccccc4)c(=O)c2c1OC)-c1ccccc1C3=O	ZINC000524731804	569212481	/nfs/dbraw/zinc/21/24/81/569212481.db2.gz	KTZXCJBGQLMCLU-UHFFFAOYSA-N	0	0	411.457	4.473	50	10		HICARN
Cc1cc(C(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1	ZINC000007180680	569227515	/nfs/dbraw/zinc/22/75/15/569227515.db2.gz	PGXJIDBVEBRNBC-UHFFFAOYSA-N	0	0	410.401	4.110	50	10		HICARN
Cc1ccc2c(c1)CCCN2Cc1c(O)c(C(=O)N2CCOCC2)cc2ccccc21	ZINC000089657389	569261859	/nfs/dbraw/zinc/26/18/59/569261859.db2.gz	UINYCAAMSOCWHR-UHFFFAOYSA-N	0	0	416.521	4.279	50	10		HICARN
COc1ccc(CCN2C(=O)/C(=C/c3ccc4c(c3)C[C@@H](C)O4)SC2=S)cc1	ZINC000002225712	569314977	/nfs/dbraw/zinc/31/49/77/569314977.db2.gz	IZCHXEVRUDHFPB-KELUXRKGSA-N	0	0	411.548	4.463	50	10		HICARN
COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2cccc(OC)c2O)cc1	ZINC000007884463	569315138	/nfs/dbraw/zinc/31/51/38/569315138.db2.gz	RIDUYJWUBRKFSZ-HSZRJFAPSA-N	0	0	404.466	4.219	50	10		HICARN
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(C)Cc3ccccc3)C2=O)cc1	ZINC000002305868	569372390	/nfs/dbraw/zinc/37/23/90/569372390.db2.gz	YNXOGOBSXYVYLR-RGEXLXHISA-N	0	0	410.564	4.245	50	10		HICARN
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1	ZINC000002422536	569398217	/nfs/dbraw/zinc/39/82/17/569398217.db2.gz	RLHSDSBSQYFIPF-WQRHYEAKSA-N	0	0	407.520	4.033	50	10		HICARN
CCOc1cc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1O	ZINC000012438659	569401478	/nfs/dbraw/zinc/40/14/78/569401478.db2.gz	RKGAERVGMFSZSN-WQRHYEAKSA-N	0	0	414.508	4.155	50	10		HICARN
Cc1cc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000013063398	569408503	/nfs/dbraw/zinc/40/85/03/569408503.db2.gz	PZJPTSVBWKTVCK-UHFFFAOYSA-N	0	0	407.514	4.086	50	10		HICARN
CCCCc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1	ZINC000038655224	571052798	/nfs/dbraw/zinc/05/27/98/571052798.db2.gz	DDADGGPRKJQJOH-UHFFFAOYSA-N	0	0	410.539	4.418	50	10		HICARN
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccn1	ZINC000008691458	571101975	/nfs/dbraw/zinc/10/19/75/571101975.db2.gz	OBQUFXRWFIVLCY-QINSGFPZSA-N	0	0	417.943	4.355	50	10	aggregator	HICARN
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nc2ccccc2s1	ZINC000008763475	571114667	/nfs/dbraw/zinc/11/46/67/571114667.db2.gz	ZRCJPWIZCSLEJS-MDWZMJQESA-N	0	0	417.562	4.198	50	10		HICARN
COc1ccc(OC)c(-c2c(C)c3ccc([O-])c(C[NH+]4CCCCC4)c3oc2=O)c1	ZINC000009530843	571266834	/nfs/dbraw/zinc/26/68/34/571266834.db2.gz	WZBCVRZLGVTUKH-UHFFFAOYSA-N	0	0	409.482	4.477	50	10		HICARN
O=C(COc1ccccc1)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1O	ZINC000002921424	845009761	/nfs/dbraw/zinc/00/97/61/845009761.db2.gz	LRBZWXYIDAWDGK-FQEVSTJZSA-N	0	0	408.841	4.471	50	10		HICARN
CN1c2ccccc2/C(=C\c2sc(N3CCOCC3)nc2-c2ccccc2)C1=O	ZINC000006007795	845159977	/nfs/dbraw/zinc/15/99/77/845159977.db2.gz	XKKPRYVGQQRJDB-OBGWFSINSA-N	0	0	403.507	4.164	50	10		HICARN
O=[N+]([O-])c1ccc2nc(/C=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1	ZINC000033766028	848139200	/nfs/dbraw/zinc/13/92/00/848139200.db2.gz	WRLYOPXICBEHEI-KXFIGUGUSA-N	0	0	412.427	4.120	50	10		HICARN
CCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccc(OC)cc3)n2)SC1=S	ZINC000096662753	852554032	/nfs/dbraw/zinc/55/40/32/852554032.db2.gz	NSJINLCYBNQFRH-DHDCSXOGSA-N	0	0	419.553	4.057	50	10		HICARN
Cc1c(NC2=NC(=O)C(=CC=Cc3ccccc3)S2)c(=O)n(-c2ccccc2)n1C	ZINC000096905119	852557322	/nfs/dbraw/zinc/55/73/22/852557322.db2.gz	ONHJOCKLMNPNSC-KGURKSSWSA-N	0	0	416.506	4.123	50	10		HICARN
COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)C)c([N+](=O)[O-])c1	ZINC000004702261	132283830	/nfs/dbraw/zinc/28/38/30/132283830.db2.gz	IFRUJGFYVATBQT-JOCHJYFZSA-N	0	0	418.453	4.441	50	10		HICARN
O=[N+]([O-])c1ccc(N2CCN(C(=S)c3ccc(-c4ccc(F)cc4)o3)CC2)cc1	ZINC000005478734	132306268	/nfs/dbraw/zinc/30/62/68/132306268.db2.gz	RHRFFQVLTIATGA-UHFFFAOYSA-N	0	0	411.458	4.492	50	10		HICARN
O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1	ZINC000007141259	132322587	/nfs/dbraw/zinc/32/25/87/132322587.db2.gz	WRLYOPXICBEHEI-QHHAFSJGSA-N	0	0	412.427	4.120	50	10		HICARN
CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@@H]1CCc2ccccc21	ZINC000029483347	522514863	/nfs/dbraw/zinc/51/48/63/522514863.db2.gz	VQUPEXMFZRETIV-JOCHJYFZSA-N	0	0	410.473	4.020	50	10		HICARN
COc1ccc(CCN2C(=O)/C(=C\N(C)c3ccccc3)SC2=S)cc1OC	ZINC000032046709	523943532	/nfs/dbraw/zinc/94/35/32/523943532.db2.gz	OPHBLLWGPTWWQW-XMHGGMMESA-N	0	0	414.552	4.084	50	10		HICARN
O=C(Nc1ccc(N=Nc2ccccc2)c(NC(=O)[C@@H]2CCCO2)c1)[C@H]1CCCO1	ZINC000252606003	527230985	/nfs/dbraw/zinc/23/09/85/527230985.db2.gz	GOOBZODYDNMMBG-UXHICEINSA-N	0	0	408.458	4.337	50	10		HICARN
COc1ccc(N2CCN(c3nc4c(Cl)c(C)nn4c4ccccc43)CC2)cc1	ZINC000012557576	536702664	/nfs/dbraw/zinc/70/26/64/536702664.db2.gz	UZWVOJYSPQBQDQ-UHFFFAOYSA-N	0	0	407.905	4.180	50	10		HICARN
COc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3C)N=C2C)cc(OC)c1OC	ZINC000000678594	557054589	/nfs/dbraw/zinc/05/45/89/557054589.db2.gz	WDYVDTVFCAYYPG-OQLLNIDSSA-N	0	0	400.862	4.480	50	10		HICARN
Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2c(O)ccc3ccccc32)c1	ZINC000000828861	557094929	/nfs/dbraw/zinc/09/49/29/557094929.db2.gz	DHAQYIGOBSUHLT-OAQYLSRUSA-N	0	0	403.507	4.285	50	10		HICARN
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc(C)cc(C)n3)c2)cc1	ZINC000000883467	557110459	/nfs/dbraw/zinc/11/04/59/557110459.db2.gz	MCCKVBSAKHMJPR-UHFFFAOYSA-N	0	0	401.513	4.059	50	10		HICARN
COc1ccc(C(=O)CN(CC(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1	ZINC000000915631	557117300	/nfs/dbraw/zinc/11/73/00/557117300.db2.gz	CZUAWLKXLQEFFI-UHFFFAOYSA-N	0	0	419.477	4.285	50	10		HICARN
CCN1C(=O)/C(=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21	ZINC000001002912	557139769	/nfs/dbraw/zinc/13/97/69/557139769.db2.gz	LIQDNVSPDYKXGV-NXVVXOECSA-N	0	0	400.912	4.483	50	10		HICARN
COc1ccccc1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	ZINC000001103225	557179773	/nfs/dbraw/zinc/17/97/73/557179773.db2.gz	PQZWLRLWEQFQNI-CPNJWEJPSA-N	0	0	415.536	4.156	50	10		HICARN
COc1cc(Br)c(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC	ZINC000001112796	557184850	/nfs/dbraw/zinc/18/48/50/557184850.db2.gz	CTSFLACDZUXAJY-NSIKDUERSA-N	0	0	416.362	4.324	50	10		HICARN
CCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1	ZINC000001180686	557230587	/nfs/dbraw/zinc/23/05/87/557230587.db2.gz	VICATTKPIRWZTI-LTGZKZEYSA-N	0	0	407.539	4.186	50	10		HICARN
O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc(O)c1	ZINC000001186539	557234390	/nfs/dbraw/zinc/23/43/90/557234390.db2.gz	YRVZYRDMQRBFQF-YBEGLDIGSA-N	0	0	418.927	4.276	50	10		HICARN
Cc1cccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2Cc2ccco2)c1	ZINC000001274634	557253296	/nfs/dbraw/zinc/25/32/96/557253296.db2.gz	HRHYRNXSIAWLSW-UHFFFAOYSA-N	0	0	421.478	4.281	50	10		HICARN
Cc1c(C=C2C(=O)NC(=S)N(C)C2=O)c2ccccc2n1Cc1ccccc1F	ZINC000009089926	557822585	/nfs/dbraw/zinc/82/25/85/557822585.db2.gz	HRLYKFRCWSIEDB-GZTJUZNOSA-N	0	0	407.470	4.234	50	10		HICARN
CCOc1c(Br)cc(Br)cc1C=C1SC(=S)NC1=O	ZINC000012339161	558386085	/nfs/dbraw/zinc/38/60/85/558386085.db2.gz	IICWIZNIRUDXNZ-RUDMXATFSA-N	0	0	423.151	4.099	50	10		HICARN
COc1cc(Br)c(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC	ZINC000022028011	558459095	/nfs/dbraw/zinc/45/90/95/558459095.db2.gz	LIIODXKQJNFVAT-DHDCSXOGSA-N	0	0	401.260	4.272	50	10		HICARN
Nc1c(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2c1C(=O)c1ccccc1C2=O	ZINC000013405231	558531731	/nfs/dbraw/zinc/53/17/31/558531731.db2.gz	YWTIMGLIUVLGPA-AATRIKPKSA-N	0	0	415.361	4.031	50	10		HICARN
O=C(CCNC(=O)c1ccco1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21	ZINC000010909483	558558232	/nfs/dbraw/zinc/55/82/32/558558232.db2.gz	FZTGPEQBLHKNBO-XMMPIXPASA-N	0	0	414.461	4.164	50	10		HICARN
Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c(F)c3F)sc2n1	ZINC000014151901	558625654	/nfs/dbraw/zinc/62/56/54/558625654.db2.gz	POEFHMQMNVKXON-VIFPVBQESA-N	0	0	423.416	4.097	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3ccc(Oc4ccccc4OC)o3)CC2)cc1	ZINC000072265328	558666795	/nfs/dbraw/zinc/66/67/95/558666795.db2.gz	VCIVSGSRCIROGI-UHFFFAOYSA-N	0	0	408.454	4.052	50	10		HICARN
Cc1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(C)n1-c1ccc(C)cc1	ZINC000029845204	558722222	/nfs/dbraw/zinc/72/22/22/558722222.db2.gz	PDNIPEDYQMVJBF-QFIPXVFZSA-N	0	0	423.582	4.267	50	10		HICARN
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000016160634	558774204	/nfs/dbraw/zinc/77/42/04/558774204.db2.gz	DSZPBXOSGDMVHS-UNOMPAQXSA-N	0	0	412.921	4.214	50	10		HICARN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000058134384	558900758	/nfs/dbraw/zinc/90/07/58/558900758.db2.gz	SLCGEXCCDLXSLU-OAHLLOKOSA-N	0	0	405.838	4.167	50	10		HICARN
O=C(NCc1ccc(-n2cccc2)cc1)c1nc(-c2ccc(-n3cccc3)cc2)no1	ZINC000004708318	558913847	/nfs/dbraw/zinc/91/38/47/558913847.db2.gz	WPONBYAKJWCWSH-UHFFFAOYSA-N	0	0	409.449	4.248	50	10		HICARN
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1	ZINC000022064933	558986417	/nfs/dbraw/zinc/98/64/17/558986417.db2.gz	LVOXPGZHPGAYFW-UNOMPAQXSA-N	0	0	407.466	4.285	50	10		HICARN
COc1ccc(N2CCN(c3nnc(SCc4ccccc4F)s3)CC2)cc1	ZINC000023140008	559020055	/nfs/dbraw/zinc/02/00/55/559020055.db2.gz	OTWOLXWPBHUIFF-UHFFFAOYSA-N	0	0	416.547	4.305	50	10		HICARN
COc1ccc(N2N=C(C)C(=C(C)NCCc3c[nH]c4ccc(F)cc34)C2=O)cc1	ZINC000100136009	559130234	/nfs/dbraw/zinc/13/02/34/559130234.db2.gz	PLAJURSFFARCBL-HMAPJEAMSA-N	0	0	406.461	4.144	50	10		HICARN
COc1ccc(N2N=C(C)C(=C(C)NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1	ZINC000100136003	559130247	/nfs/dbraw/zinc/13/02/47/559130247.db2.gz	NBZASKNBSURMAJ-HAHDFKILSA-N	0	0	418.497	4.014	50	10		HICARN
COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(Cc3ccccc3)C1=O)S2	ZINC000100337782	559134244	/nfs/dbraw/zinc/13/42/44/559134244.db2.gz	QOFAJBGAXXJXLN-VLGSPTGOSA-N	0	0	400.550	4.467	50	10		HICARN
O=C1C(=CNCc2cccnc2)C(c2ccccc2)=NN1c1nc2ccccc2s1	ZINC000102436439	559150331	/nfs/dbraw/zinc/15/03/31/559150331.db2.gz	AKVYQXFOYOIYCU-OBGWFSINSA-N	0	0	411.490	4.116	50	10		HICARN
O=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1CC(=O)c1ccccc1)c1ccccc1	ZINC000104241290	559159395	/nfs/dbraw/zinc/15/93/95/559159395.db2.gz	YZQABNYMTSJMRC-UHFFFAOYSA-N	0	0	411.417	4.389	50	10		HICARN
CN(C)c1ccc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1	ZINC000080348223	560542014	/nfs/dbraw/zinc/54/20/14/560542014.db2.gz	LWYDQCWRVFUXFH-AMWUQPRHSA-N	0	0	423.929	4.268	50	10		HICARN
CCN1C(=O)/C(=C2/c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)SC1=S	ZINC000001318830	560556819	/nfs/dbraw/zinc/55/68/19/560556819.db2.gz	GYBQWTYCOKFKCD-WUKNDPDISA-N	0	0	414.939	4.478	50	10		HICARN
COc1cc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc(OC)c1OC	ZINC000005346141	560570226	/nfs/dbraw/zinc/57/02/26/560570226.db2.gz	CHVBYLZQYFTDAF-UHFFFAOYSA-N	0	0	423.465	4.054	50	10		HICARN
Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1Cc1ccccc1	ZINC000005529503	560605862	/nfs/dbraw/zinc/60/58/62/560605862.db2.gz	KGCYRXRMBQUZQA-ODXNEQJUSA-N	0	0	405.527	4.428	50	10		HICARN
CC[C@@H](NC(=O)[C@H]1CCC[C@H]1C(=O)N[C@@H](CC)c1ccccc1O)c1ccccc1O	ZINC000108147594	560898042	/nfs/dbraw/zinc/89/80/42/560898042.db2.gz	ZDYQIOJGOKAJSA-BTYSMDAFSA-N	0	0	424.541	4.349	50	10		HICARN
Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1	ZINC000048990163	568444317	/nfs/dbraw/zinc/44/43/17/568444317.db2.gz	KIKHSQACRWJPGP-UHFFFAOYSA-N	0	0	416.930	4.428	50	10		HICARN
CCOC(=O)c1c(C)nc2c(c1-c1cc(OC)ccc1OC)C(=O)c1ccccc1-2	ZINC000000778312	568473773	/nfs/dbraw/zinc/47/37/73/568473773.db2.gz	QKMJJKIVWJHBTI-UHFFFAOYSA-N	0	0	403.434	4.462	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C\c3cccc(OCCOc4ccccc4)c3)C2=N)S1	ZINC000012349992	568495776	/nfs/dbraw/zinc/49/57/76/568495776.db2.gz	BKTWXDKUFSHBAB-QVRVXCEOSA-N	0	0	420.494	4.174	50	10		HICARN
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(C(=O)N2CCCCC2)cc1	ZINC000095471583	568626912	/nfs/dbraw/zinc/62/69/12/568626912.db2.gz	SGWADGIFHZJJRW-JWGURIENSA-N	0	0	402.498	4.340	50	10		HICARN
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc2ncnc(N3CCCC3)c2c1	ZINC000096399935	568749177	/nfs/dbraw/zinc/74/91/77/568749177.db2.gz	KCVCFALISFLKRW-UHFFFAOYSA-N	0	0	415.541	4.150	50	10		HICARN
COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1	ZINC000021891882	568759403	/nfs/dbraw/zinc/75/94/03/568759403.db2.gz	WFPHUFJZXDZXGD-DEOSSOPVSA-N	0	0	418.541	4.194	50	10		HICARN
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1O	ZINC000001011196	568762933	/nfs/dbraw/zinc/76/29/33/568762933.db2.gz	HSDHMMSCWWWQPQ-YBEGLDIGSA-N	0	0	414.255	4.032	50	10		HICARN
CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(=O)Nc2ccccc2)cc1	ZINC000001064577	568766562	/nfs/dbraw/zinc/76/65/62/568766562.db2.gz	PVZZOCIDLWLCFV-XLNRJJMWSA-N	0	0	410.477	4.178	50	10		HICARN
CCOc1ccc(C=C2SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc1OC	ZINC000035042692	568836199	/nfs/dbraw/zinc/83/61/99/568836199.db2.gz	CEQDYBUYPOUBHF-XDHOZWIPSA-N	0	0	411.483	4.135	50	10		HICARN
COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccccc3[N+](=O)[O-])c2C)cc1	ZINC000006038107	568836241	/nfs/dbraw/zinc/83/62/41/568836241.db2.gz	ONDBPGJUDNKDDK-UHFFFAOYSA-N	0	0	408.410	4.051	50	10		HICARN
Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1ccc(Br)cc1	ZINC000003288126	568872706	/nfs/dbraw/zinc/87/27/06/568872706.db2.gz	KRLXBSPQKFFQGO-UHFFFAOYSA-N	0	0	417.328	4.465	50	10		HICARN
O=C(OCc1cc(=O)oc2cc(O)c(O)cc12)c1sc2ccccc2c1Cl	ZINC000003347676	568884935	/nfs/dbraw/zinc/88/49/35/568884935.db2.gz	GTGBBFAFMYQMLB-UHFFFAOYSA-N	0	0	402.811	4.429	50	10		HICARN
Cc1oc2c(c1C(=O)N1CCC(Cc3ccccc3)CC1)C(=O)c1ccccc1C2=O	ZINC000001236037	568886209	/nfs/dbraw/zinc/88/62/09/568886209.db2.gz	CWNXJFPWPCWAEJ-UHFFFAOYSA-N	0	0	413.473	4.458	50	10		HICARN
COc1ccc2c(c1)/C(=C1/SC(=S)N(Cc3ccc(Cl)cc3)C1=O)C(=O)N2	ZINC000001245794	568908480	/nfs/dbraw/zinc/90/84/80/568908480.db2.gz	PTKOUDIHWXTEGR-NXVVXOECSA-N	0	0	416.911	4.072	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)C2=N)S1	ZINC000004000977	568932587	/nfs/dbraw/zinc/93/25/87/568932587.db2.gz	WTRNUXYYVZTVFN-SOPDNMILSA-N	0	0	408.458	4.434	50	10		HICARN
CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O	ZINC000001416651	568933657	/nfs/dbraw/zinc/93/36/57/568933657.db2.gz	JMKMLZRPMNPMLH-LFIBNONCSA-N	0	0	418.927	4.285	50	10		HICARN
CCCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	ZINC000004076830	568938296	/nfs/dbraw/zinc/93/82/96/568938296.db2.gz	SCCLXRVQMINMFE-VKAVYKQESA-N	0	0	407.557	4.410	50	10		HICARN
O=C1Nc2ccc(Br)cc2[C@@]12NN=C(c1cccc3ccccc31)S2	ZINC000004176865	568948859	/nfs/dbraw/zinc/94/88/59/568948859.db2.gz	LBDIKPWSADWNHA-IBGZPJMESA-N	0	0	410.296	4.405	50	10		HICARN
COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc(O)c1O	ZINC000085412434	568986445	/nfs/dbraw/zinc/98/64/45/568986445.db2.gz	BWYKPAMSINVECL-SFHVURJKSA-N	0	0	403.504	4.378	50	10		HICARN
CCCC(=O)Nc1nc2ccc(CCC(=O)NCc3ccc(N(C)C)cc3)cc2s1	ZINC000015861852	569015521	/nfs/dbraw/zinc/01/55/21/569015521.db2.gz	ZNKFYLXNHMFSPY-UHFFFAOYSA-N	0	0	424.570	4.350	50	10		HICARN
COc1ccccc1[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2O)N1	ZINC000053363275	569027520	/nfs/dbraw/zinc/02/75/20/569027520.db2.gz	MCGSBSXAMIYDJG-NTKDMRAZSA-N	0	0	402.450	4.352	50	10		HICARN
Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000006290064	569037552	/nfs/dbraw/zinc/03/75/52/569037552.db2.gz	QCCDEEBDTBMIPP-UHFFFAOYSA-N	0	0	414.408	4.056	50	10		HICARN
O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000006496372	569061350	/nfs/dbraw/zinc/06/13/50/569061350.db2.gz	POFHHKXKPIUQTH-CSKARUKUSA-N	0	0	404.403	4.084	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(O)c2)c1	ZINC000006721799	569099354	/nfs/dbraw/zinc/09/93/54/569099354.db2.gz	ZMNHUPQTIJUAJJ-GBXCKJPGSA-N	0	0	418.449	4.357	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(O)cc2)c1	ZINC000006721801	569099365	/nfs/dbraw/zinc/09/93/65/569099365.db2.gz	XCKZNQNVQYNNDU-GBXCKJPGSA-N	0	0	418.449	4.357	50	10		HICARN
Cc1cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ccc1Cl	ZINC000006747953	569108706	/nfs/dbraw/zinc/10/87/06/569108706.db2.gz	UREHZUJFDOCNLO-OAQYLSRUSA-N	0	0	416.949	4.301	50	10		HICARN
Cc1nn(C)c(C)c1[C@@H](NCc1cc(C)cc(Br)c1O)C(F)(F)F	ZINC000170619380	569248320	/nfs/dbraw/zinc/24/83/20/569248320.db2.gz	DXJKXQCMBSJVBH-OAHLLOKOSA-N	0	0	406.246	4.207	50	10		HICARN
COCCCN1C(=O)/C(=C/c2ccc(OCCC(C)C)c(OC)c2)SC1=S	ZINC000002333397	569375198	/nfs/dbraw/zinc/37/51/98/569375198.db2.gz	PXWKMNTXCILBII-AQTBWJFISA-N	0	0	409.573	4.358	50	10		HICARN
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1OC	ZINC000012619431	569402237	/nfs/dbraw/zinc/40/22/37/569402237.db2.gz	RHKLMTBEZZYLFD-WQRHYEAKSA-N	0	0	423.519	4.045	50	10		HICARN
CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N(C)C1=O	ZINC000008762996	571114420	/nfs/dbraw/zinc/11/44/20/571114420.db2.gz	QVRDDFPVBWPKEI-UHFFFAOYSA-N	0	0	419.264	4.006	50	10		HICARN
C[C@H](c1ccccc1)N1C(=O)C(=CNc2ccc(Cn3cncn3)cc2)SC1=S	ZINC000008993430	571207914	/nfs/dbraw/zinc/20/79/14/571207914.db2.gz	BDZQERRDLMEFLT-SKCQWOFPSA-N	0	0	421.551	4.201	50	10		HICARN
Cc1cccc(NC2=NC(=O)C(=Cc3ccc(OCc4nccn4C)cc3)S2)c1	ZINC000040139618	848198014	/nfs/dbraw/zinc/19/80/14/848198014.db2.gz	NZATXFKHSMMVIR-CPNJWEJPSA-N	0	0	404.495	4.390	50	10		HICARN
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)/C=C\c2c(C)nn(C)c2C)cc1	ZINC000096822520	852556104	/nfs/dbraw/zinc/55/61/04/852556104.db2.gz	XNLWTVNVJZHNIF-NXVVXOECSA-N	0	0	418.541	4.358	50	10		HICARN
CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(N=Nc4ccccc4)cc3)ccc21	ZINC000254677430	854213633	/nfs/dbraw/zinc/21/36/33/854213633.db2.gz	IVIGDZPJXWLJFO-UHFFFAOYSA-N	0	0	406.467	4.422	50	10		HICARN
O=C(N=N/C=C1/SC(=O)N=C1N1C=CC(=C2C=C[NH2+]C=C2)C=C1)c1ccccc1[O-]	ZINC000334157346	855423073	/nfs/dbraw/zinc/42/30/73/855423073.db2.gz	KNROROZHIHWLFP-ZEZPAJMMSA-N	0	0	417.450	4.362	50	10		HICARN
COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)CC2)cc1	ZINC000002695481	132256875	/nfs/dbraw/zinc/25/68/75/132256875.db2.gz	WLRVVSHKNDLORG-QGZVFWFLSA-N	0	0	402.922	4.082	50	10		HICARN
Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(O)cc4)S3)CC2)cc1Cl	ZINC000004600357	132280100	/nfs/dbraw/zinc/28/01/00/132280100.db2.gz	XRRNCTAUXSSRIH-XDHOZWIPSA-N	0	0	413.930	4.147	50	10		HICARN
O=C1c2ccccc2-c2onc3c2c1c(NCc1ccco1)cc3N1CCOCC1	ZINC000006737989	132314177	/nfs/dbraw/zinc/31/41/77/132314177.db2.gz	HBXGGNOTFDJEGZ-UHFFFAOYSA-N	0	0	401.422	4.081	50	10		HICARN
CCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(OC)cc3)C2=N)S1	ZINC000032964200	519917623	/nfs/dbraw/zinc/91/76/23/519917623.db2.gz	VWEILFDZZRMJJB-DTRPCSQLSA-N	0	0	407.499	4.295	50	10		HICARN
CC1CCN(C(=O)C2=CN(c3cccc(Cl)c3)c3ccccc3S2(=O)=O)CC1	ZINC000044169856	520974200	/nfs/dbraw/zinc/97/42/00/520974200.db2.gz	ZZDKSEZABBKLCM-UHFFFAOYSA-N	0	0	416.930	4.365	50	10		HICARN
COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1nc(C)cs1	ZINC000044085896	522053338	/nfs/dbraw/zinc/05/33/38/522053338.db2.gz	MGKSQMWLBXBLBT-UHFFFAOYSA-N	0	0	402.545	4.001	50	10		HICARN
Cc1cc(C(=O)NCc2ccccc2Cn2ccnc2)c(C)n1-c1ccc(F)cc1	ZINC000032904454	524107635	/nfs/dbraw/zinc/10/76/35/524107635.db2.gz	IPMFQJXJTFGYFN-UHFFFAOYSA-N	0	0	402.473	4.408	50	10		HICARN
COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1cccs1	ZINC000019855501	524441328	/nfs/dbraw/zinc/44/13/28/524441328.db2.gz	BRSGUJOFQSIPGZ-UHFFFAOYSA-N	0	0	404.495	4.379	50	10		HICARN
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Oc2ccccc2)cc1Cl	ZINC000041157761	527044469	/nfs/dbraw/zinc/04/44/69/527044469.db2.gz	VSSJGUYPIVZMGS-LDADJPATSA-N	0	0	400.887	4.435	50	10		HICARN
Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2c(O)ccc3ccccc32)c1	ZINC000000828862	557094962	/nfs/dbraw/zinc/09/49/62/557094962.db2.gz	DHAQYIGOBSUHLT-NRFANRHFSA-N	0	0	403.507	4.285	50	10		HICARN
COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1	ZINC000000980805	557130391	/nfs/dbraw/zinc/13/03/91/557130391.db2.gz	VKRAPRWRYOAILR-HYARGMPZSA-N	0	0	401.466	4.196	50	10		HICARN
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O	ZINC000001135573	557201200	/nfs/dbraw/zinc/20/12/00/557201200.db2.gz	WEDJPIFTZWILFJ-GRSHGNNSSA-N	0	0	415.536	4.422	50	10		HICARN
Cc1cc(C)nc(NN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)n1	ZINC000001201759	557239739	/nfs/dbraw/zinc/23/97/39/557239739.db2.gz	FHAXRVPSEMIZPT-JYRVWZFOSA-N	0	0	421.345	4.084	50	10		HICARN
CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1	ZINC000001212761	557244366	/nfs/dbraw/zinc/24/43/66/557244366.db2.gz	DQOUEARQFXLKAG-NBVRZTHBSA-N	0	0	411.552	4.079	50	10		HICARN
O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S	ZINC000001221214	557248510	/nfs/dbraw/zinc/24/85/10/557248510.db2.gz	JUCWIQXFGDZRGX-GDNBJRDFSA-N	0	0	423.346	4.469	50	10		HICARN
CN(C1=NC(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)S1)c1ccc(Cl)cc1	ZINC000002850661	557404515	/nfs/dbraw/zinc/40/45/15/557404515.db2.gz	ZYMKAHAJULLQFV-PFONDFGASA-N	0	0	404.278	4.422	50	10		HICARN
Cc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)cc1	ZINC000005007282	557624816	/nfs/dbraw/zinc/62/48/16/557624816.db2.gz	SBJIBQZBFXDPTG-UHFFFAOYSA-N	0	0	401.510	4.228	50	10		HICARN
COc1cccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)c1OC(C)=O	ZINC000009259756	557832910	/nfs/dbraw/zinc/83/29/10/557832910.db2.gz	OIDRZYBMQYZQTE-GDNBJRDFSA-N	0	0	415.239	4.364	50	10		HICARN
CSc1ccc(CN2CCN(Cc3cc(Br)ccc3O)CC2)cc1	ZINC000019791485	558282685	/nfs/dbraw/zinc/28/26/85/558282685.db2.gz	VHLJHCKYFUWCHF-UHFFFAOYSA-N	0	0	407.377	4.194	50	10		HICARN
CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1	ZINC000011917769	558297425	/nfs/dbraw/zinc/29/74/25/558297425.db2.gz	GBEYTGDQFWMESC-FOWTUZBSSA-N	0	0	418.565	4.377	50	10		HICARN
O=C1c2ccccc2C(=O)c2cc(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21	ZINC000013403238	558531658	/nfs/dbraw/zinc/53/16/58/558531658.db2.gz	ZYMZMQNVLAXBRF-FNORWQNLSA-N	0	0	400.346	4.449	50	10		HICARN
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccccc2F)c2ccccc12	ZINC000013534028	558537314	/nfs/dbraw/zinc/53/73/14/558537314.db2.gz	OHIPJSGYGZVQOV-STZFKDTASA-N	0	0	411.436	4.290	50	10		HICARN
C[C@H]1Cc2cc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)ccc2O1	ZINC000013539983	558537503	/nfs/dbraw/zinc/53/75/03/558537503.db2.gz	XDUZESKPYJONFV-AOPUEWEHSA-N	0	0	411.504	4.140	50	10		HICARN
COc1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc1[N+](=O)[O-]	ZINC000013546703	558538117	/nfs/dbraw/zinc/53/81/17/558538117.db2.gz	VKABTMBVMSNWBW-JYRVWZFOSA-N	0	0	402.200	4.347	50	10		HICARN
CCN1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)S2)CC1	ZINC000013547702	558538285	/nfs/dbraw/zinc/53/82/85/558538285.db2.gz	YABBRSGHHHEOIX-JWGURIENSA-N	0	0	421.566	4.182	50	10		HICARN
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)cc1	ZINC000013785521	558593088	/nfs/dbraw/zinc/59/30/88/558593088.db2.gz	GSTIXKXFAWRURK-AQTBWJFISA-N	0	0	412.536	4.321	50	10		HICARN
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12	ZINC000013800154	558594541	/nfs/dbraw/zinc/59/45/41/558594541.db2.gz	RDFPIYKJFQMGIL-HMAPJEAMSA-N	0	0	411.436	4.290	50	10		HICARN
CN1c2ccccc2C(=C2SC(Nc3cccc(Cl)c3Cl)=NC2=O)C1=O	ZINC000013810912	558595804	/nfs/dbraw/zinc/59/58/04/558595804.db2.gz	YZBPNKMNQFGNMN-SQFISAMPSA-N	0	0	404.278	4.422	50	10		HICARN
COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	ZINC000014010580	558613353	/nfs/dbraw/zinc/61/33/53/558613353.db2.gz	IHPRUDTWXNOQBA-NVNXTCNLSA-N	0	0	405.281	4.361	50	10		HICARN
COc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccccc1Cl	ZINC000015800462	558753930	/nfs/dbraw/zinc/75/39/30/558753930.db2.gz	RRDRYTZKRYSFNM-BOPFTXTBSA-N	0	0	421.927	4.295	50	10		HICARN
COc1cccc(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c1	ZINC000015857268	558757133	/nfs/dbraw/zinc/75/71/33/558757133.db2.gz	OZAOEIMRIOWSGH-CPNJWEJPSA-N	0	0	415.536	4.374	50	10		HICARN
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2	ZINC000001461897	558776292	/nfs/dbraw/zinc/77/62/92/558776292.db2.gz	NLQGZVKXLTWART-PQNGQFLHSA-N	0	0	424.566	4.151	50	10		HICARN
CCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1	ZINC000004599556	558835324	/nfs/dbraw/zinc/83/53/24/558835324.db2.gz	YEXVZOAGOCDRPP-VKAVYKQESA-N	0	0	406.511	4.329	50	10		HICARN
CN(C)c1ccc([C@H](c2nnnn2C(c2ccccc2)c2ccccc2)N(C)C)cc1	ZINC000004599828	558835378	/nfs/dbraw/zinc/83/53/78/558835378.db2.gz	YQHXUDFIWHUTSI-XMMPIXPASA-N	0	0	412.541	4.028	50	10		HICARN
COc1ccc(N2CCC(N(C)C(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1	ZINC000058307600	558918465	/nfs/dbraw/zinc/91/84/65/558918465.db2.gz	LTCBBURRQAAMBX-UHFFFAOYSA-N	0	0	419.428	4.149	50	10		HICARN
COc1ccc(N2CCC(N(C)C(=O)Nc3cnc4c(cnn4C(C)C)c3)CC2)cc1	ZINC000058378990	558922933	/nfs/dbraw/zinc/92/29/33/558922933.db2.gz	VTKOVZJETVFKPD-UHFFFAOYSA-N	0	0	422.533	4.154	50	10		HICARN
O=C1c2ccccc2C(=O)C1(Cc1nnc(CCc2ccccc2)[nH]1)c1ccccc1	ZINC000065398977	558977116	/nfs/dbraw/zinc/97/71/16/558977116.db2.gz	ZIJHLZNCCDDPLH-UHFFFAOYSA-N	0	0	407.473	4.150	50	10		HICARN
COc1ccc(/C=C\C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1F	ZINC000096809608	558986647	/nfs/dbraw/zinc/98/66/47/558986647.db2.gz	CAMIQKMOEJCLFO-NMIMRFFTSA-N	0	0	412.505	4.121	50	10		HICARN
Cc1c(NC=C2C(C)=NN(c3ccccc3)C2=S)c(=O)n(-c2ccccc2)n1C	ZINC000100363734	559134424	/nfs/dbraw/zinc/13/44/24/559134424.db2.gz	RMIXSMLIBFMJKT-XMHGGMMESA-N	0	0	403.511	4.004	50	10		HICARN
COc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)ccc1OC(C)=O	ZINC000103654347	559156637	/nfs/dbraw/zinc/15/66/37/559156637.db2.gz	XBBWDSDYDSBWBX-RQZCQDPDSA-N	0	0	418.371	4.445	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=N)S1	ZINC000004857007	559192677	/nfs/dbraw/zinc/19/26/77/559192677.db2.gz	VDTVYEQLPGNHQC-MQIWZSEOSA-N	0	0	408.458	4.434	50	10		HICARN
CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=N)S1	ZINC000004855794	559192906	/nfs/dbraw/zinc/19/29/06/559192906.db2.gz	ZYINABMYTYXULJ-FZVWOUGZSA-N	0	0	409.427	4.130	50	10		HICARN
CN(C)c1ccc([C@@H]2C=C(c3ccc(Cl)cc3OC(F)F)N=C3N=CNN32)cc1	ZINC000100426522	559200098	/nfs/dbraw/zinc/20/00/98/559200098.db2.gz	XYLYMKRFLDNOMG-KRWDZBQOSA-N	0	0	417.847	4.308	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=N)N2O1	ZINC000005013349	559228188	/nfs/dbraw/zinc/22/81/88/559228188.db2.gz	VBISQLRLIQXFOU-RFWMZAAKSA-N	0	0	417.465	4.212	50	10		HICARN
CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCc3ccccc32)cc1	ZINC000005098642	559244529	/nfs/dbraw/zinc/24/45/29/559244529.db2.gz	MJZHTNYVJHRLPO-RUZDIDTESA-N	0	0	415.537	4.052	50	10		HICARN
COc1ccc(C2([C@@H](C[N+](=O)[O-])c3ccccc3)C(=O)c3ccccc3C2=O)cc1	ZINC000001021758	560560743	/nfs/dbraw/zinc/56/07/43/560560743.db2.gz	PFODLVZJONOURI-NRFANRHFSA-N	0	0	401.418	4.073	50	10		HICARN
CSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C2=N)S1	ZINC000005342017	560567880	/nfs/dbraw/zinc/56/78/80/560567880.db2.gz	QUCZGHYBRFETMI-YGHDLIBZSA-N	0	0	409.540	4.342	50	10		HICARN
Cc1cc(/C=C2/C(=N)N3c4ccccc4SC3=NC2=O)c(C)n1C[C@H]1CCCO1	ZINC000005377236	560574865	/nfs/dbraw/zinc/57/48/65/560574865.db2.gz	RHRKAPMDRYFYOH-HALYAXHZSA-N	0	0	406.511	4.153	50	10		HICARN
CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c1C	ZINC000005487644	560597546	/nfs/dbraw/zinc/59/75/46/560597546.db2.gz	UXROIHQRXLMPAH-SAIIIAOYSA-N	0	0	407.499	4.132	50	10		HICARN
Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1ccc(C)c(C)c1	ZINC000005623816	560632941	/nfs/dbraw/zinc/63/29/41/560632941.db2.gz	FZXIJLRDSHUPMH-UHFFFAOYSA-N	0	0	404.297	4.457	50	10		HICARN
COCCNc1nnc(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)s1	ZINC000005643922	560636056	/nfs/dbraw/zinc/63/60/56/560636056.db2.gz	SMCHZLLRAGBGGZ-UHFFFAOYSA-N	0	0	420.535	4.118	50	10		HICARN
O=[N+]([O-])c1ccccc1N1CCN(C(=S)c2ccc(-c3ccc(F)cc3)o2)CC1	ZINC000008843408	560639798	/nfs/dbraw/zinc/63/97/98/560639798.db2.gz	CWEJQBUMQOLJBE-UHFFFAOYSA-N	0	0	411.458	4.492	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2	ZINC000005701098	560796805	/nfs/dbraw/zinc/79/68/05/560796805.db2.gz	HSFOMELRDXXIRB-YBFXNURJSA-N	0	0	405.450	4.416	50	10		HICARN
CCOC(=O)c1ccoc1CSc1ncc(-c2ccc3c(c2)OCCO3)n1CC	ZINC000024875331	568474209	/nfs/dbraw/zinc/47/42/09/568474209.db2.gz	COBXVSSGRCNEEE-UHFFFAOYSA-N	0	0	414.483	4.403	50	10		HICARN
CCOC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1	ZINC000000793756	568480568	/nfs/dbraw/zinc/48/05/68/568480568.db2.gz	DMGOHTACNWDALG-UHFFFAOYSA-N	0	0	402.406	4.038	50	10		HICARN
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Br)c1OC	ZINC000033315702	568513710	/nfs/dbraw/zinc/51/37/10/568513710.db2.gz	MZOSVJUAOCFDTD-XYOKQWHBSA-N	0	0	402.335	4.078	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3c(C)onc3-c3ccc(Cl)cc3)CC2)cc1	ZINC000080343677	568602726	/nfs/dbraw/zinc/60/27/26/568602726.db2.gz	UALSJHBDWMNFOD-UHFFFAOYSA-N	0	0	411.889	4.274	50	10		HICARN
COC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)c2=O)cc1	ZINC000020438252	568607128	/nfs/dbraw/zinc/60/71/28/568607128.db2.gz	AFOPQVHOZUHMNI-HNNXBMFYSA-N	0	0	423.465	4.452	50	10		HICARN
COc1ccc(N2CCN(C(=O)C[C@@H](c3cccc(C)c3)n3cccc3)CC2)cc1	ZINC000021015882	568657716	/nfs/dbraw/zinc/65/77/16/568657716.db2.gz	AAVSOEJETIBGAV-DEOSSOPVSA-N	0	0	403.526	4.133	50	10		HICARN
Cc1ccccc1NC(=O)CC1(c2ccc(N(C)C)cc2)C(=O)c2ccccc2C1=O	ZINC000000985112	568760549	/nfs/dbraw/zinc/76/05/49/568760549.db2.gz	OOZZSGIVEYARMC-UHFFFAOYSA-N	0	0	412.489	4.407	50	10		HICARN
COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccccc1Cl	ZINC000001005510	568762381	/nfs/dbraw/zinc/76/23/81/568762381.db2.gz	BTAPZDBASSHEQS-OQLLNIDSSA-N	0	0	405.884	4.057	50	10		HICARN
CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1cc(C)on1	ZINC000022227038	568765475	/nfs/dbraw/zinc/76/54/75/568765475.db2.gz	MNKXVSPKRVUACF-UHFFFAOYSA-N	0	0	421.320	4.360	50	10		HICARN
Cc1cc(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c(C)n1-c1ccc2c(c1)OCO2	ZINC000002637346	568792630	/nfs/dbraw/zinc/79/26/30/568792630.db2.gz	KBWFIADWAHXVNB-LJQANCHMSA-N	0	0	424.280	4.133	50	10		HICARN
COCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O	ZINC000002144254	568845127	/nfs/dbraw/zinc/84/51/27/568845127.db2.gz	RFLFAVHVJACUDQ-UYRXBGFRSA-N	0	0	400.500	4.176	50	10		HICARN
COc1ccc(-c2cc3ccc([O-])c(C[N@@H+]4CCC[C@@H](C)C4)c3oc2=O)c(OC)c1	ZINC000004084765	568939932	/nfs/dbraw/zinc/93/99/32/568939932.db2.gz	NTPUMNWZUGNZKA-OAHLLOKOSA-N	0	0	409.482	4.415	50	10	biogenic	HICARN
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccnc1	ZINC000004140160	568946198	/nfs/dbraw/zinc/94/61/98/568946198.db2.gz	RJILEINWOVPYRO-QGNYZNNNSA-N	0	0	409.536	4.258	50	10		HICARN
CCOC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000004193883	568950942	/nfs/dbraw/zinc/95/09/42/568950942.db2.gz	IVBXEUAUAGLHLB-UYRXBGFRSA-N	0	0	410.495	4.166	50	10		HICARN
CN(C)c1ccc(CN(C)C(=O)COc2ccc(Br)cc2Cl)cc1	ZINC000008154611	568977682	/nfs/dbraw/zinc/97/76/82/568977682.db2.gz	MJUHVKIQRHQISR-UHFFFAOYSA-N	0	0	411.727	4.206	50	10		HICARN
COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc(O)c1O	ZINC000085412436	568986497	/nfs/dbraw/zinc/98/64/97/568986497.db2.gz	BWYKPAMSINVECL-GOSISDBHSA-N	0	0	403.504	4.378	50	10		HICARN
CCOc1ccc(Cl)cc1/C=C1/C(=N)N2N=C(c3cccs3)SC2=NC1=O	ZINC000016225253	569029973	/nfs/dbraw/zinc/02/99/73/569029973.db2.gz	RBLYKADAKWOLMQ-HBDSZSESSA-N	0	0	416.915	4.468	50	10		HICARN
Cc1ccc(Cl)cc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1	ZINC000035507652	569040974	/nfs/dbraw/zinc/04/09/74/569040974.db2.gz	LOIDGAMTWUIDOV-FQEVSTJZSA-N	0	0	422.920	4.234	50	10		HICARN
COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(C(C)(C)C)cc34)CC2)cc1	ZINC000054105898	569057530	/nfs/dbraw/zinc/05/75/30/569057530.db2.gz	KFVIABVGHKTFCS-UHFFFAOYSA-N	0	0	406.526	4.421	50	10		HICARN
Cc1cc(C(=O)[C@H](C)OC(=O)CN2CCSC2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000006610482	569074193	/nfs/dbraw/zinc/07/41/93/569074193.db2.gz	MBDFXALOJZCCMQ-AWEZNQCLSA-N	0	0	420.918	4.031	50	10		HICARN
CCN(CC)c1ccc(CN(CC(C)C)C(=O)C2CCC2)c(OS(=O)(=O)CC)c1	ZINC000006711001	569096652	/nfs/dbraw/zinc/09/66/52/569096652.db2.gz	CHXVKVYPHDNSSH-UHFFFAOYSA-N	0	0	424.607	4.046	50	10		HICARN
COC(=O)C1=CN(c2ccc(C)c(C)c2)c2cc(Br)ccc2S1(=O)=O	ZINC000064979263	569140849	/nfs/dbraw/zinc/14/08/49/569140849.db2.gz	QTMIWCDFJKYHKJ-UHFFFAOYSA-N	0	0	422.300	4.006	50	10		HICARN
COC(=O)C1=CN(c2cc(C)cc(C)c2)c2cc(Br)ccc2S1(=O)=O	ZINC000064979264	569140854	/nfs/dbraw/zinc/14/08/54/569140854.db2.gz	AEVOLUNVOIHTTB-UHFFFAOYSA-N	0	0	422.300	4.006	50	10		HICARN
CC(=O)Nc1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1	ZINC000006830370	569144005	/nfs/dbraw/zinc/14/40/05/569144005.db2.gz	INFKSDFLLZVYEF-UHFFFAOYSA-N	0	0	408.429	4.231	50	10		HICARN
Cc1cc(C(=O)CSC(=S)N2CCCC2)c(C)n1-c1ccc2c(c1)OCCO2	ZINC000006831430	569147588	/nfs/dbraw/zinc/14/75/88/569147588.db2.gz	PBMJTZZRIMFXJE-UHFFFAOYSA-N	0	0	416.568	4.162	50	10		HICARN
CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc(N(C)C)cc2)c1C	ZINC000006920175	569181754	/nfs/dbraw/zinc/18/17/54/569181754.db2.gz	QPVCPXNVYLTMFT-UHFFFAOYSA-N	0	0	407.489	4.188	50	10		HICARN
Cc1csc(NC(=O)CCN2C(=O)/C(=C\C=C/c3ccccc3)SC2=S)n1	ZINC000006974129	569192997	/nfs/dbraw/zinc/19/29/97/569192997.db2.gz	FNMOKHPLCQKMHG-HAVFLYGMSA-N	0	0	415.565	4.238	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1	ZINC000007159338	569226099	/nfs/dbraw/zinc/22/60/99/569226099.db2.gz	ITWBKOIOVRTNJD-UHFFFAOYSA-N	0	0	402.244	4.489	50	10		HICARN
Cc1ccc(NC(=O)CC2(c3ccc(N(C)C)cc3)C(=O)c3ccccc3C2=O)cc1	ZINC000002288442	569364749	/nfs/dbraw/zinc/36/47/49/569364749.db2.gz	YCPAAWYQQCBOAZ-UHFFFAOYSA-N	0	0	412.489	4.407	50	10		HICARN
CCOC(=O)c1ccc(NC(=O)c2nc[nH]c2N=Nc2ccc(OC)cc2OC)cc1	ZINC000008695029	571102632	/nfs/dbraw/zinc/10/26/32/571102632.db2.gz	KTSACMNDSYFKGR-OCEACIFDSA-N	0	0	423.429	4.271	50	10		HICARN
Cc1csc2nc(COC(=O)c3cc(C)n(-c4ccc(C)cc4)c3C)cc(=O)n12	ZINC000008931556	571162736	/nfs/dbraw/zinc/16/27/36/571162736.db2.gz	IODGYGPUIKXVLN-UHFFFAOYSA-N	0	0	407.495	4.137	50	10		HICARN
COc1cccc(OCCOc2ccc(Cl)cc2C=C2SC(=S)NC2=O)c1	ZINC000008951969	571180829	/nfs/dbraw/zinc/18/08/29/571180829.db2.gz	HXVNICDCQHUTBE-YVLHZVERSA-N	0	0	421.927	4.295	50	10		HICARN
COc1cc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccnc2)ccc1O	ZINC000244970124	571211080	/nfs/dbraw/zinc/21/10/80/571211080.db2.gz	HKTOVZAEBRZVIB-MBSDFSHPSA-N	0	0	403.438	4.047	50	10		HICARN
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C(=O)N1c1ccccc1Cl	ZINC000009374494	571252593	/nfs/dbraw/zinc/25/25/93/571252593.db2.gz	GZAAGQUPLAXGDE-QHAWAJNXSA-N	0	0	420.852	4.097	50	10		HICARN
O=C(/C=C/c1cccs1)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000009427704	571257987	/nfs/dbraw/zinc/25/79/87/571257987.db2.gz	ZEKCJAOREJRSAL-CSKARUKUSA-N	0	0	418.499	4.050	50	10		HICARN
CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCCCC1	ZINC000010084925	571294823	/nfs/dbraw/zinc/29/48/23/571294823.db2.gz	VIWXNXCUZLNXCJ-UHFFFAOYSA-N	0	0	408.365	4.437	50	10		HICARN
COc1cc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccnc2)ccc1O	ZINC000010216084	571297344	/nfs/dbraw/zinc/29/73/44/571297344.db2.gz	HKTOVZAEBRZVIB-WZONZLPQSA-N	0	0	403.438	4.047	50	10		HICARN
Oc1c(F)cccc1CN1CCCC[C@H]1c1nc(CCOc2ccc(F)cc2)no1	ZINC000169786274	853664448	/nfs/dbraw/zinc/66/44/48/853664448.db2.gz	BBGAQNAUNRUSAV-IBGZPJMESA-N	0	0	415.440	4.402	50	10		HICARN
O=C1S/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1Cl	ZINC000001130288	132238355	/nfs/dbraw/zinc/23/83/55/132238355.db2.gz	OBNGUFWPVSZCQL-AQTBWJFISA-N	0	0	400.887	4.418	50	10		HICARN
CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCN(c2ccc(F)cc2)CC1	ZINC000002310351	132252431	/nfs/dbraw/zinc/25/24/31/132252431.db2.gz	LKGFUTQZZUPFKA-OCEACIFDSA-N	0	0	413.428	4.444	50	10		HICARN
Cc1cccc(N2CC(=O)N(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2=O)c1C	ZINC000005452182	132305964	/nfs/dbraw/zinc/30/59/64/132305964.db2.gz	JPILOMCQGXQAKP-RUZDIDTESA-N	0	0	413.521	4.491	50	10		HICARN
C[C@@H]1C[C@H](C)CN(c2cc(N3CCOCC3)c3c4c2noc4-c2ccccc2C3=O)C1	ZINC000006737870	132314060	/nfs/dbraw/zinc/31/40/60/132314060.db2.gz	MKRZOMSWVXZDTQ-IYBDPMFKSA-N	0	0	417.509	4.358	50	10		HICARN
COC(=O)Cn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccc(C)cc1	ZINC000044085962	523387941	/nfs/dbraw/zinc/38/79/41/523387941.db2.gz	ZCLWFIGAOYHEME-UHFFFAOYSA-N	0	0	409.511	4.071	50	10		HICARN
COc1ccc(NC(=O)NCCC(=O)Nc2cccc(-n3c(C)ccc3C)c2)cc1	ZINC000032816648	524562068	/nfs/dbraw/zinc/56/20/68/524562068.db2.gz	HDISUFRNQAPANZ-UHFFFAOYSA-N	0	0	406.486	4.253	50	10		HICARN
Cc1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)C(=O)N(c3ccccc3)C2=S)cc1	ZINC000020072719	524917595	/nfs/dbraw/zinc/91/75/95/524917595.db2.gz	JNJPAPFUJOCAPL-QNGOZBTKSA-N	0	0	414.486	4.449	50	10		HICARN
CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1	ZINC000001028486	557145999	/nfs/dbraw/zinc/14/59/99/557145999.db2.gz	UUOMTVQIDZJSBO-WJDWOHSUSA-N	0	0	418.927	4.285	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1OC	ZINC000001159198	557216899	/nfs/dbraw/zinc/21/68/99/557216899.db2.gz	SVCKWPJDJOXGHT-BOPFTXTBSA-N	0	0	401.509	4.427	50	10		HICARN
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(O)cc1	ZINC000001182578	557231770	/nfs/dbraw/zinc/23/17/70/557231770.db2.gz	MJAYRHXISNYYQR-WJDWOHSUSA-N	0	0	418.927	4.276	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC	ZINC000001830950	557290980	/nfs/dbraw/zinc/29/09/80/557290980.db2.gz	QGYFTVZNZVORIT-BOPFTXTBSA-N	0	0	401.509	4.427	50	10		HICARN
Cc1csc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)n1	ZINC000001835616	557291283	/nfs/dbraw/zinc/29/12/83/557291283.db2.gz	QHDNOXMCBCFCDF-JYRVWZFOSA-N	0	0	423.972	4.335	50	10		HICARN
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)cc1	ZINC000002305424	557335853	/nfs/dbraw/zinc/33/58/53/557335853.db2.gz	PWJJIPLEGRVLQL-RVDMUPIBSA-N	0	0	404.538	4.074	50	10		HICARN
CC1CCN(C(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)CC1	ZINC000004754609	557593078	/nfs/dbraw/zinc/59/30/78/557593078.db2.gz	JCXYYUPJCWUNCT-FOWTUZBSSA-N	0	0	408.976	4.190	50	10		HICARN
COc1ccc(C(=O)NN2C(=O)/C(=C\C(C)=C\c3ccccc3)SC2=S)cc1	ZINC000006261726	557696460	/nfs/dbraw/zinc/69/64/60/557696460.db2.gz	LAJQRNLSFNEMTE-FBRLRESOSA-N	0	0	410.520	4.188	50	10		HICARN
COc1ccc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)c(OC)c1OC	ZINC000006568847	557708404	/nfs/dbraw/zinc/70/84/04/557708404.db2.gz	AOEKYQLCFCEFMM-WJDWOHSUSA-N	0	0	418.902	4.473	50	10		HICARN
CCCCOc1ccccc1/C=C1/SC(N2CCC(C(=O)OCC)CC2)=NC1=O	ZINC000002811783	557766660	/nfs/dbraw/zinc/76/66/60/557766660.db2.gz	YTCXREFUOFLIQL-XDJHFCHBSA-N	0	0	416.543	4.111	50	10		HICARN
COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)CC(C)C)CC2)cc1	ZINC000097546848	557823940	/nfs/dbraw/zinc/82/39/40/557823940.db2.gz	IBIGRZXDNZGNKD-JPYJTQIMSA-N	0	0	415.603	4.171	50	10		HICARN
COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(OC)c1O	ZINC000009188674	557826258	/nfs/dbraw/zinc/82/62/58/557826258.db2.gz	QKYHGYZATNEYHQ-UEMWTREESA-N	0	0	401.509	4.372	50	10		HICARN
COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1	ZINC000011852875	558289629	/nfs/dbraw/zinc/28/96/29/558289629.db2.gz	GVMXTQUKKVIVKL-FOWTUZBSSA-N	0	0	418.565	4.377	50	10		HICARN
CC(=O)c1ccc(NC(=O)CN2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1	ZINC000011859682	558289806	/nfs/dbraw/zinc/28/98/06/558289806.db2.gz	OPKSIGCTIQRPTB-CXUPVGNPSA-N	0	0	422.531	4.285	50	10		HICARN
CN1c2ccccc2C(=C2SC(Nc3cc(Cl)cc(Cl)c3)=NC2=O)C1=O	ZINC000012437031	558409303	/nfs/dbraw/zinc/40/93/03/558409303.db2.gz	GXCFBNVCWSBUSE-PFONDFGASA-N	0	0	404.278	4.422	50	10		HICARN
COc1ccc(-c2cc3ccc([O-])c(C[N@@H+]4CCC[C@@H](C)C4)c3oc2=O)cc1OC	ZINC000004353848	558439444	/nfs/dbraw/zinc/43/94/44/558439444.db2.gz	PTGPSLGKLLBYRZ-OAHLLOKOSA-N	0	0	409.482	4.415	50	10		HICARN
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2C)cc1	ZINC000022007447	558457481	/nfs/dbraw/zinc/45/74/81/558457481.db2.gz	XPKILVAMDVUVAW-UHFFFAOYSA-N	0	0	403.482	4.482	50	10		HICARN
O=C(CCNC(=O)c1ccco1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21	ZINC000010909475	558558294	/nfs/dbraw/zinc/55/82/94/558558294.db2.gz	FZTGPEQBLHKNBO-DEOSSOPVSA-N	0	0	414.461	4.164	50	10		HICARN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Br)ccc1Cl	ZINC000010907010	558558764	/nfs/dbraw/zinc/55/87/64/558558764.db2.gz	IGJPDOGXEUAHOY-UHFFFAOYSA-N	0	0	423.738	4.211	50	10		HICARN
COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O	ZINC000013718998	558580732	/nfs/dbraw/zinc/58/07/32/558580732.db2.gz	GQAHQQKEKIXXHF-GZTJUZNOSA-N	0	0	408.504	4.356	50	10		HICARN
COc1ccc(N2C(=O)/C(=C/c3cccc4nccnc34)SC2=S)c(OC)c1	ZINC000013723284	558583092	/nfs/dbraw/zinc/58/30/92/558583092.db2.gz	QVOJEACICDADGY-YVLHZVERSA-N	0	0	409.492	4.053	50	10		HICARN
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC	ZINC000013810005	558595288	/nfs/dbraw/zinc/59/52/88/558595288.db2.gz	ZDMWUCUGGPEOCB-MOSHPQCFSA-N	0	0	407.466	4.280	50	10		HICARN
COc1ccc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)cc1	ZINC000004545685	558664352	/nfs/dbraw/zinc/66/43/52/558664352.db2.gz	XJJYBBRNFDVQCU-XGMUFTHNSA-N	0	0	408.508	4.205	50	10		HICARN
Cc1cc(C(=O)Cn2cccc(C(F)(F)F)c2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000027064212	558669307	/nfs/dbraw/zinc/66/93/07/558669307.db2.gz	TWPCPPQEFLDOGB-UHFFFAOYSA-N	0	0	419.359	4.066	50	10		HICARN
COc1ccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OC	ZINC000027530342	558674116	/nfs/dbraw/zinc/67/41/16/558674116.db2.gz	UXJZHQMTYYEZBN-WOJGMQOQSA-N	0	0	414.508	4.068	50	10		HICARN
CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCCCCC3)C2=O)cc1	ZINC000015799806	558753794	/nfs/dbraw/zinc/75/37/94/558753794.db2.gz	BBWRBJAOJXBZAG-SDXDJHTJSA-N	0	0	418.584	4.079	50	10		HICARN
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3ccccc3o2)cc1	ZINC000015831356	558755366	/nfs/dbraw/zinc/75/53/66/558755366.db2.gz	HCKVAPZKJUEKHJ-UHFFFAOYSA-N	0	0	402.450	4.295	50	10		HICARN
CCOC(=O)COc1ccc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)cc1	ZINC000016193654	558777544	/nfs/dbraw/zinc/77/75/44/558777544.db2.gz	LHTCMDPHNITWDZ-BOPFTXTBSA-N	0	0	416.886	4.364	50	10		HICARN
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1nccs1	ZINC000016672978	558798658	/nfs/dbraw/zinc/79/86/58/558798658.db2.gz	AYWOBKVQNZWUBG-ZYENNSECSA-N	0	0	415.565	4.319	50	10		HICARN
CN(C)c1ccc([C@@H](c2nnnn2C(c2ccccc2)c2ccccc2)N(C)C)cc1	ZINC000004599827	558835341	/nfs/dbraw/zinc/83/53/41/558835341.db2.gz	YQHXUDFIWHUTSI-DEOSSOPVSA-N	0	0	412.541	4.028	50	10		HICARN
CCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	ZINC000013618386	558848307	/nfs/dbraw/zinc/84/83/07/558848307.db2.gz	ADLDUPBRDZFRFY-NVMNQCDNSA-N	0	0	415.492	4.228	50	10		HICARN
CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2F)S1	ZINC000004670431	558880845	/nfs/dbraw/zinc/88/08/45/558880845.db2.gz	DIFOWFZNBBYCIT-MFOYZWKCSA-N	0	0	404.850	4.165	50	10		HICARN
O=C(NCC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(-n3cccc3)cc2)no1	ZINC000004623100	558885616	/nfs/dbraw/zinc/88/56/16/558885616.db2.gz	ZBBNRBAKVKUWKR-UHFFFAOYSA-N	0	0	402.498	4.474	50	10		HICARN
CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc([N+](=O)[O-])ccc32)cc1	ZINC000004718423	558916040	/nfs/dbraw/zinc/91/60/40/558916040.db2.gz	TWZKDAKZQWRPBJ-UHFFFAOYSA-N	0	0	417.465	4.189	50	10		HICARN
COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)C(C)(C)C)CC2)cc1	ZINC000023181545	559031441	/nfs/dbraw/zinc/03/14/41/559031441.db2.gz	HBALENVETKAKHR-UTKZUKDTSA-N	0	0	415.603	4.171	50	10		HICARN
COc1ccc(N2CCN(c3cc(C(=O)N(C)C(C)C)c4ccccc4n3)CC2)cc1	ZINC000023329011	559167144	/nfs/dbraw/zinc/16/71/44/559167144.db2.gz	YJIMUXLLYLACPU-UHFFFAOYSA-N	0	0	418.541	4.050	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C2=N)S1	ZINC000033414381	559167603	/nfs/dbraw/zinc/16/76/03/559167603.db2.gz	VDTVYEQLPGNHQC-AMWUQPRHSA-N	0	0	408.458	4.434	50	10		HICARN
Cc1ccccc1C(=O)n1nc(-c2ccco2)nc1NCc1ccc(N(C)C)cc1	ZINC000014610835	559171076	/nfs/dbraw/zinc/17/10/76/559171076.db2.gz	LILGOJWPBPEFGO-UHFFFAOYSA-N	0	0	401.470	4.213	50	10		HICARN
COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@H]2c2ccc(O)c(O)c2)cc1	ZINC000004913285	559202952	/nfs/dbraw/zinc/20/29/52/559202952.db2.gz	HABFNDLKCKFJKI-JOCHJYFZSA-N	0	0	400.434	4.348	50	10		HICARN
COc1ccc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2cccc(OC)c2O)cc1	ZINC000004942467	559213477	/nfs/dbraw/zinc/21/34/77/559213477.db2.gz	VPMKLTHRKXMZJR-GOSISDBHSA-N	0	0	408.479	4.462	50	10		HICARN
CC(=O)Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)c(OC(C)=O)c1	ZINC000004993970	559225389	/nfs/dbraw/zinc/22/53/89/559225389.db2.gz	QTIJADYEPIZHLR-GSHUGGBRSA-N	0	0	408.410	4.272	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)ccc4C)cc3)C(=N)N2O1	ZINC000005013565	559228231	/nfs/dbraw/zinc/22/82/31/559228231.db2.gz	NARSNZZTPQLKMM-VASVRFFCSA-N	0	0	417.465	4.212	50	10		HICARN
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C(=O)N1c1cccc(Cl)c1	ZINC000136626059	559277841	/nfs/dbraw/zinc/27/78/41/559277841.db2.gz	VVTBDKZUBGFWKV-PWRODBHTSA-N	0	0	420.852	4.097	50	10		HICARN
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(F)cc1	ZINC000017264748	560706466	/nfs/dbraw/zinc/70/64/66/560706466.db2.gz	OWSRLBLVWJDUJE-BOPFTXTBSA-N	0	0	417.483	4.275	50	10		HICARN
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1[C@H](C)CCC[C@H]1C	ZINC000024874732	568474257	/nfs/dbraw/zinc/47/42/57/568474257.db2.gz	KIYKRTPVGLKVEM-HZPDHXFCSA-N	0	0	415.559	4.223	50	10		HICARN
COc1ccc(N2CCN(c3ccc(-c4nc(C(C)C)no4)cc3[N+](=O)[O-])CC2)cc1	ZINC000020898145	568649450	/nfs/dbraw/zinc/64/94/50/568649450.db2.gz	PUJDHQUBMYDTRB-UHFFFAOYSA-N	0	0	423.473	4.103	50	10		HICARN
Cc1cnc(C)c(-c2ccc(O)c(CN(C)Cc3nnc(-c4ccccc4)o3)c2)n1	ZINC000014989976	568718334	/nfs/dbraw/zinc/71/83/34/568718334.db2.gz	RZOTZDSNFNCZIO-UHFFFAOYSA-N	0	0	401.470	4.148	50	10		HICARN
Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	ZINC000000978006	568759981	/nfs/dbraw/zinc/75/99/81/568759981.db2.gz	XELZGCLFAOMWJV-DHDCSXOGSA-N	0	0	406.891	4.334	50	10		HICARN
COc1ccc(C2([C@H](C[N+](=O)[O-])c3ccccc3)C(=O)c3ccccc3C2=O)cc1	ZINC000001021759	568763543	/nfs/dbraw/zinc/76/35/43/568763543.db2.gz	PFODLVZJONOURI-OAQYLSRUSA-N	0	0	401.418	4.073	50	10		HICARN
Cc1cc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1cc(C)ccn1	ZINC000005926749	568829842	/nfs/dbraw/zinc/82/98/42/568829842.db2.gz	STXXEHYLSPMGKP-BKUYFWCQSA-N	0	0	400.482	4.199	50	10		HICARN
CSC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C2=N)S1	ZINC000005925973	568829849	/nfs/dbraw/zinc/82/98/49/568829849.db2.gz	BPOJDZWXKLQYJJ-NQDRLLCNSA-N	0	0	413.503	4.173	50	10		HICARN
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000012553657	568854734	/nfs/dbraw/zinc/85/47/34/568854734.db2.gz	BLBVRJTXGLZQID-JOCHJYFZSA-N	0	0	405.542	4.374	50	10		HICARN
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccc3)c2C)c1	ZINC000003367219	568857581	/nfs/dbraw/zinc/85/75/81/568857581.db2.gz	OHMMPYXSRPDGSF-SFHVURJKSA-N	0	0	404.466	4.481	50	10		HICARN
CN(C)c1ccc([C@@H](C[N+](=O)[O-])C2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1	ZINC000003164273	568858982	/nfs/dbraw/zinc/85/89/82/568858982.db2.gz	GVOUXPPSVMEJEN-JOCHJYFZSA-N	0	0	414.461	4.130	50	10		HICARN
COC(=O)C1CCN([C@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	ZINC000057794342	568861304	/nfs/dbraw/zinc/86/13/04/568861304.db2.gz	BBFOWCUJQRMSAQ-MRXNPFEDSA-N	0	0	402.922	4.204	50	10		HICARN
CCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1	ZINC000003769608	568868227	/nfs/dbraw/zinc/86/82/27/568868227.db2.gz	NHLSSSMXYNZHSR-NBVRZTHBSA-N	0	0	412.536	4.412	50	10		HICARN
CCCCCCOC(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	ZINC000004175710	568948513	/nfs/dbraw/zinc/94/85/13/568948513.db2.gz	AREJFZGRZDOOTO-ATVHPVEESA-N	0	0	421.540	4.130	50	10		HICARN
C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(Cl)s3)cc2F)C[C@H](C)O1	ZINC000084713581	568956702	/nfs/dbraw/zinc/95/67/02/568956702.db2.gz	YOIFNIGGFUIFIM-BETUJISGSA-N	0	0	411.930	4.154	50	10		HICARN
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C)cc1	ZINC000006213451	569033239	/nfs/dbraw/zinc/03/32/39/569033239.db2.gz	QRCBGLNWMRISFV-CPNJWEJPSA-N	0	0	415.536	4.292	50	10		HICARN
COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(Cl)c(C)c34)CC2)cc1	ZINC000054106035	569057686	/nfs/dbraw/zinc/05/76/86/569057686.db2.gz	FDDLOECIFZWJCW-UHFFFAOYSA-N	0	0	412.917	4.394	50	10		HICARN
NC(=O)[C@H]1CCCN(c2ccc(CNc3ncc(C(F)(F)F)cc3Cl)cc2)C1	ZINC000054124331	569059519	/nfs/dbraw/zinc/05/95/19/569059519.db2.gz	IENIQJCRZLBBFC-ZDUSSCGKSA-N	0	0	412.843	4.068	50	10		HICARN
CN(C)c1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2cccs2)cc1	ZINC000004757658	569071475	/nfs/dbraw/zinc/07/14/75/569071475.db2.gz	MFJHKSGAEZTKJB-UHFFFAOYSA-N	0	0	403.511	4.373	50	10		HICARN
COc1ccc(N2CCN(CC(=O)N3c4ccc(C)cc4[C@@H](C)CC3(C)C)CC2)cc1	ZINC000169681404	569127503	/nfs/dbraw/zinc/12/75/03/569127503.db2.gz	GNWDFYWZUKWISM-FQEVSTJZSA-N	0	0	421.585	4.445	50	10		HICARN
CCOc1ccc(N(C)[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1	ZINC000006804160	569130660	/nfs/dbraw/zinc/13/06/60/569130660.db2.gz	PPVLMTMHHNOFIF-HSZRJFAPSA-N	0	0	410.539	4.241	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2cnc(C)cn2)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000006832207	569148043	/nfs/dbraw/zinc/14/80/43/569148043.db2.gz	COHIOMPDKMHLBR-UHFFFAOYSA-N	0	0	417.387	4.251	50	10		HICARN
Cc1ccc(C(C)C)c(OCCSc2nc(-c3ccco3)nc3cc(=O)[nH]n32)c1	ZINC000006915810	569181067	/nfs/dbraw/zinc/18/10/67/569181067.db2.gz	MNHCJHKUGOALHK-UHFFFAOYSA-N	0	0	410.499	4.281	50	10		HICARN
COc1ccc(-c2cnc(SCC(=O)NCc3ccc(Cl)cc3)n2C)cc1	ZINC000007423761	569237965	/nfs/dbraw/zinc/23/79/65/569237965.db2.gz	CCPBIYCOWDGYMV-UHFFFAOYSA-N	0	0	401.919	4.158	50	10		HICARN
COc1ccc(C2(Nc3cccc([N+](=O)[O-])c3C)C(=O)c3ccccc3C2=O)cc1	ZINC000007499999	569242893	/nfs/dbraw/zinc/24/28/93/569242893.db2.gz	RRSPPFUTNBPLNE-UHFFFAOYSA-N	0	0	402.406	4.298	50	10		HICARN
COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)cc(Br)c1O	ZINC000013914339	569258189	/nfs/dbraw/zinc/25/81/89/569258189.db2.gz	DTXYXMSRVHYLJL-NVNXTCNLSA-N	0	0	401.260	4.278	50	10		HICARN
Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(c1ccc3c(c1)OCCO3)CO2	ZINC000002125038	569286145	/nfs/dbraw/zinc/28/61/45/569286145.db2.gz	LPWYBOVVCMWEIB-UHFFFAOYSA-N	0	0	405.450	4.108	50	10	biogenic	HICARN
COc1ccc(-c2cc(C(=O)NCCc3ccc(O)c(O)c3)c3ccccc3n2)cc1	ZINC000009052097	571216484	/nfs/dbraw/zinc/21/64/84/571216484.db2.gz	BEBXGBCOBIYYNO-UHFFFAOYSA-N	0	0	414.461	4.294	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(O)c2)c1	ZINC000245298307	571223569	/nfs/dbraw/zinc/22/35/69/571223569.db2.gz	ZMNHUPQTIJUAJJ-RDPSFJRHSA-N	0	0	418.449	4.357	50	10		HICARN
COc1ccc(NC(=O)NCc2cc(C)n(-c3ccccc3OC)c2C)c(OC)c1	ZINC000009228892	571239626	/nfs/dbraw/zinc/23/96/26/571239626.db2.gz	UCDIVRFBWXGHJF-UHFFFAOYSA-N	0	0	409.486	4.442	50	10		HICARN
N=C1/C(=C\c2c(-c3ccccc3)nc3sccn23)C(=O)N=C2SC(C3CC3)=NN21	ZINC000009243638	571240909	/nfs/dbraw/zinc/24/09/09/571240909.db2.gz	IUILXBDOCGTGBC-CAVDFQQASA-N	0	0	418.507	4.092	50	10		HICARN
Fc1c(F)c(N2CCc3ccccc3C2)c(F)c(F)c1/C=C\CN1CCOCC1	ZINC000033471818	848135956	/nfs/dbraw/zinc/13/59/56/848135956.db2.gz	BAKODLHBPHDSJX-UTCJRWHESA-N	0	0	406.423	4.151	50	10		HICARN
COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(N2CCOCC2)cc1	ZINC000000643239	132229765	/nfs/dbraw/zinc/22/97/65/132229765.db2.gz	NSDIROUXARWISH-DEOSSOPVSA-N	0	0	415.493	4.303	50	10		HICARN
O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccccc1Cl	ZINC000002195197	132249269	/nfs/dbraw/zinc/24/92/69/132249269.db2.gz	KCXZNFHJCVTOBN-AQTBWJFISA-N	0	0	401.894	4.272	50	10		HICARN
Cc1ccccc1N1C(=O)C(=Cc2cccn2C)C(=O)N(c2ccccc2C)C1=S	ZINC000002226593	132249754	/nfs/dbraw/zinc/24/97/54/132249754.db2.gz	RDMLVBWEGBHLEZ-UHFFFAOYSA-N	0	0	415.518	4.390	50	10		HICARN
CCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1	ZINC000005373211	132305382	/nfs/dbraw/zinc/30/53/82/132305382.db2.gz	WRCIUJNNQDQGRV-HKWRFOASSA-N	0	0	411.502	4.017	50	10		HICARN
CCN1CCN(c2cc(N3CCCCC3)c3c4c2noc4-c2ccccc2C3=O)CC1	ZINC000006737891	132314172	/nfs/dbraw/zinc/31/41/72/132314172.db2.gz	FLORHBBUACCFEM-UHFFFAOYSA-N	0	0	416.525	4.171	50	10		HICARN
O=C1S/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccc(F)cc1	ZINC000009264195	132337778	/nfs/dbraw/zinc/33/77/78/132337778.db2.gz	FHUIUDPMXPQKGM-XDHOZWIPSA-N	0	0	416.449	4.038	50	10		HICARN
Cc1ccc(C)c(N2CCN(C3(c4ccccc4)C(=O)c4ccccc4C3=O)CC2)c1	ZINC000020178013	132470154	/nfs/dbraw/zinc/47/01/54/132470154.db2.gz	CMHXLRUJUUEXBR-UHFFFAOYSA-N	0	0	410.517	4.400	50	10	aggregator	HICARN
COc1cc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccncc2)ccc1O	ZINC000245180734	522306812	/nfs/dbraw/zinc/30/68/12/522306812.db2.gz	ZIOPSYKVLAHXKB-MBSDFSHPSA-N	0	0	403.438	4.047	50	10		HICARN
CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[C@H]1CCc2ccccc21	ZINC000029483350	522513840	/nfs/dbraw/zinc/51/38/40/522513840.db2.gz	VQUPEXMFZRETIV-QFIPXVFZSA-N	0	0	410.473	4.020	50	10		HICARN
COc1ccc(N2CCN(C(=O)C3=Cc4sc(C)c(C)c4CS3)CC2)cc1	ZINC000009153476	536678015	/nfs/dbraw/zinc/67/80/15/536678015.db2.gz	DHMSPZFJZTYRGS-UHFFFAOYSA-N	0	0	400.569	4.310	50	10		HICARN
COc1ccc(N2CCN(c3ncnc4c(-c5ccc(F)cc5)nsc43)CC2)cc1	ZINC000001379877	536704022	/nfs/dbraw/zinc/70/40/22/536704022.db2.gz	HDCGNGFPDUMEGN-UHFFFAOYSA-N	0	0	421.501	4.228	50	10		HICARN
O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1C[C@@H]1CCCO1	ZINC000001087660	557176951	/nfs/dbraw/zinc/17/69/51/557176951.db2.gz	ZTLRPNBAVPUXJC-VZWMTCDZSA-N	0	0	416.480	4.235	50	10		HICARN
Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(N(C)C)cc2)cc1Cl	ZINC000001192099	557236678	/nfs/dbraw/zinc/23/66/78/557236678.db2.gz	BAIBRLINRHPWAN-IBGZPJMESA-N	0	0	414.962	4.146	50	10		HICARN
CCN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3OC)cc2)SC1=S	ZINC000002994144	557438101	/nfs/dbraw/zinc/43/81/01/557438101.db2.gz	LVHNKTVWXRBMTE-RGEXLXHISA-N	0	0	415.536	4.374	50	10		HICARN
COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)cc2)c1	ZINC000004662483	557578066	/nfs/dbraw/zinc/57/80/66/557578066.db2.gz	AUMAVQKLAPEVGH-ICUZCALPSA-N	0	0	419.462	4.081	50	10		HICARN
CCN1C(=O)/C(=C/c2ccccc2OCCOc2cccc(OC)c2)SC1=S	ZINC000002966402	557777823	/nfs/dbraw/zinc/77/78/23/557777823.db2.gz	KZANLUIWDVEOGN-UYRXBGFRSA-N	0	0	415.536	4.374	50	10		HICARN
COc1ccc([C@H]2CC(c3ccc(OC)cc3O)=NN2C(=O)c2ccccc2)cc1	ZINC000013122512	558517605	/nfs/dbraw/zinc/51/76/05/558517605.db2.gz	WMLQPWQVSXIETO-JOCHJYFZSA-N	0	0	402.450	4.401	50	10		HICARN
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C(=O)N1c1cccc(Cl)c1	ZINC000013582343	558545155	/nfs/dbraw/zinc/54/51/55/558545155.db2.gz	VVTBDKZUBGFWKV-QHAWAJNXSA-N	0	0	420.852	4.097	50	10		HICARN
O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1C[C@@H]1CCCO1	ZINC000013590957	558545970	/nfs/dbraw/zinc/54/59/70/558545970.db2.gz	IBUSPESPUDCXKV-ADFUCPMPSA-N	0	0	416.480	4.235	50	10		HICARN
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1nccs1	ZINC000013800675	558594522	/nfs/dbraw/zinc/59/45/22/558594522.db2.gz	VYPITJVGUJOBRH-RAXLEYEMSA-N	0	0	423.972	4.417	50	10		HICARN
CCN1C(=O)/C(=C\C=C2/Sc3ccc4ccccc4c3N2CCO)SC1=S	ZINC000013892950	558599884	/nfs/dbraw/zinc/59/98/84/558599884.db2.gz	OBDZXKUEZRGZQN-IPPJXQLGSA-N	0	0	414.577	4.350	50	10		HICARN
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	ZINC000013895103	558600365	/nfs/dbraw/zinc/60/03/65/558600365.db2.gz	WLQIGWHYICRJAN-JCMHNJIXSA-N	0	0	422.525	4.112	50	10		HICARN
COc1ccc(C(=O)Nc2cccc(/C=C3\SC(N4CCCCC4)=NC3=O)c2)cc1	ZINC000026456079	558661215	/nfs/dbraw/zinc/66/12/15/558661215.db2.gz	IMHQOZHMSNNLSR-HKWRFOASSA-N	0	0	421.522	4.404	50	10		HICARN
CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S	ZINC000026965971	558667896	/nfs/dbraw/zinc/66/78/96/558667896.db2.gz	YDEPQHQTZXHIOY-BOPFTXTBSA-N	0	0	422.491	4.279	50	10		HICARN
Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)nc1	ZINC000027019275	558668462	/nfs/dbraw/zinc/66/84/62/558668462.db2.gz	FKCRTVQUPBUINV-GDNBJRDFSA-N	0	0	417.943	4.273	50	10		HICARN
CN(Cc1ccco1)C(=O)CSc1ncc(-c2ccc(Br)cc2)n1C	ZINC000029940623	558724716	/nfs/dbraw/zinc/72/47/16/558724716.db2.gz	VXISUNVULJTQCA-UHFFFAOYSA-N	0	0	420.332	4.193	50	10		HICARN
C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)C[C@H](C)O1	ZINC000004557524	558726364	/nfs/dbraw/zinc/72/63/64/558726364.db2.gz	SOJZAOVYKAZTPV-QALXIQJFSA-N	0	0	408.523	4.345	50	10		HICARN
O=C1N=C(N2CCCCC2)S/C1=C1/c2ccccc2N(Cc2ccccc2F)C1=O	ZINC000015227188	558728778	/nfs/dbraw/zinc/72/87/78/558728778.db2.gz	MBCBCMAOYKUVMK-VXPUYCOJSA-N	0	0	421.497	4.199	50	10		HICARN
Cn1c(-c2ccccc2)cnc1SC[C@H]1CSc2nnc(-c3cccnc3)n21	ZINC000030571133	558733082	/nfs/dbraw/zinc/73/30/82/558733082.db2.gz	BRCYKFBDNVBQES-INIZCTEOSA-N	0	0	406.540	4.180	50	10		HICARN
CN(C)c1ccc([C@@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccccc2)cc1	ZINC000015412430	558738137	/nfs/dbraw/zinc/73/81/37/558738137.db2.gz	ATYIBWVVCZYAAU-HSZRJFAPSA-N	0	0	403.457	4.013	50	10		HICARN
COc1cc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc(OC)c1OC	ZINC000016195175	558777778	/nfs/dbraw/zinc/77/77/78/558777778.db2.gz	BSPOUUHZXYEWSB-ZSOIEALJSA-N	0	0	417.255	4.456	50	10		HICARN
COc1cc(Br)cc(CN2CCN(c3cccc(Cl)c3)CC2)c1O	ZINC000023281374	558778995	/nfs/dbraw/zinc/77/89/95/558778995.db2.gz	YUIFYNWXDDZTJZ-UHFFFAOYSA-N	0	0	411.727	4.139	50	10		HICARN
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2	ZINC000004758384	558780970	/nfs/dbraw/zinc/78/09/70/558780970.db2.gz	NLQGZVKXLTWART-LGVFNWMJSA-N	0	0	424.566	4.151	50	10		HICARN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)o1	ZINC000004594354	558831840	/nfs/dbraw/zinc/83/18/40/558831840.db2.gz	JAMKXICQXMTYGX-UHFFFAOYSA-N	0	0	405.362	4.345	50	10		HICARN
Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	ZINC000004650136	558866319	/nfs/dbraw/zinc/86/63/19/558866319.db2.gz	HSVLWNKQBMAFNZ-URYGWFBQSA-N	0	0	401.854	4.136	50	10		HICARN
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1	ZINC000058120684	558899998	/nfs/dbraw/zinc/89/99/98/558899998.db2.gz	XMTWXWPGTIGQKP-AWEZNQCLSA-N	0	0	408.329	4.151	50	10		HICARN
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCc1ccccc1	ZINC000004746825	559045353	/nfs/dbraw/zinc/04/53/53/559045353.db2.gz	WYYAJOKALWNNFG-SAPNQHFASA-N	0	0	416.593	4.088	50	10		HICARN
Cc1ccc(CNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1	ZINC000033313559	559055210	/nfs/dbraw/zinc/05/52/10/559055210.db2.gz	UENWTVROAONRLE-JJIBRWJFSA-N	0	0	413.521	4.148	50	10		HICARN
COc1cc2c(cc1NCC(=O)NC(=O)Nc1ccccc1F)oc1ccccc12	ZINC000011619369	559115439	/nfs/dbraw/zinc/11/54/39/559115439.db2.gz	HVUWIEQGKGACCC-UHFFFAOYSA-N	0	0	407.401	4.494	50	10		HICARN
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCc1cccc(C(F)(F)F)c1	ZINC000102580590	559151252	/nfs/dbraw/zinc/15/12/52/559151252.db2.gz	PIJUIVUDCZWMKI-GZTJUZNOSA-N	0	0	404.348	4.010	50	10		HICARN
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)NC2CCCCC2)c1C	ZINC000003321750	560592394	/nfs/dbraw/zinc/59/23/94/560592394.db2.gz	AHQYJOQBNAMGHR-UHFFFAOYSA-N	0	0	418.921	4.362	50	10		HICARN
CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)c2C)cc1	ZINC000005487258	560597565	/nfs/dbraw/zinc/59/75/65/560597565.db2.gz	DCUYJUQMRJGUBJ-UKTHSGLNSA-N	0	0	407.499	4.132	50	10		HICARN
Cc1nn2c(nc(C)cc2SCC(=O)c2ccc(O)c(O)c2)c1-c1ccccc1	ZINC000005532912	560606171	/nfs/dbraw/zinc/60/61/71/560606171.db2.gz	HCUVOVMXCRQQCR-UHFFFAOYSA-N	0	0	405.479	4.399	50	10		HICARN
CCN1C(=O)/C(=C\c2ccc(/C=C3/SC(=S)N(CC)C3=O)cc2)SC1=S	ZINC000005540438	560606593	/nfs/dbraw/zinc/60/65/93/560606593.db2.gz	DZVCMWCPGJCNEA-UTLPMFLDSA-N	0	0	420.606	4.129	50	10		HICARN
CC(=O)Nc1ccc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1	ZINC000051330802	560875595	/nfs/dbraw/zinc/87/55/95/560875595.db2.gz	DQWJRDXBQKLUDO-ODLFYWEKSA-N	0	0	408.504	4.370	50	10		HICARN
Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1C	ZINC000049003898	568446646	/nfs/dbraw/zinc/44/66/46/568446646.db2.gz	MQIGQEHAGSECFC-UHFFFAOYSA-N	0	0	414.502	4.222	50	10		HICARN
COc1ccc(CCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1OC	ZINC000604404104	568492302	/nfs/dbraw/zinc/49/23/02/568492302.db2.gz	CILMNDXSPJWVCN-UHFFFAOYSA-N	0	0	411.457	4.473	50	10		HICARN
O=C(NCCCSc1nccs1)Nc1cc(F)c(Br)cc1F	ZINC000095435493	568609766	/nfs/dbraw/zinc/60/97/66/568609766.db2.gz	SZBONSGZNQLNSP-UHFFFAOYSA-N	0	0	408.293	4.488	50	10		HICARN
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(C[NH+](CC)CC)c1[O-]	ZINC000000870796	568728800	/nfs/dbraw/zinc/72/88/00/568728800.db2.gz	LKUBWJXUFRJYGN-UHFFFAOYSA-N	0	0	405.498	4.457	50	10		HICARN
Cc1cc(C(=O)CSc2nnc3nc(C)cc(C)n32)c(C)n1-c1ccc(F)cc1	ZINC000002644191	568794621	/nfs/dbraw/zinc/79/46/21/568794621.db2.gz	YBCDUEHXYWYFRJ-UHFFFAOYSA-N	0	0	409.490	4.263	50	10		HICARN
COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)o1	ZINC000001182437	568822249	/nfs/dbraw/zinc/82/22/49/568822249.db2.gz	GAFGTZJSEXGPMQ-UHFFFAOYSA-N	0	0	415.398	4.109	50	10		HICARN
CCN1C(=O)/C(=C/c2cccc(/C=C3\SC(=S)N(CC)C3=O)c2)SC1=S	ZINC000002997534	568836394	/nfs/dbraw/zinc/83/63/94/568836394.db2.gz	UTHADLWVKYRNAY-FOIMCPNXSA-N	0	0	420.606	4.129	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc32)c(C)n1-c1ccc(F)cc1	ZINC000003348423	568884955	/nfs/dbraw/zinc/88/49/55/568884955.db2.gz	HKLNZJBFVYXVIB-UHFFFAOYSA-N	0	0	418.424	4.114	50	10		HICARN
CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O	ZINC000004818890	568934402	/nfs/dbraw/zinc/93/44/02/568934402.db2.gz	BBJHZBWDTZRCAK-YBFXNURJSA-N	0	0	412.511	4.310	50	10		HICARN
O=C1/C(=C\c2ccc(OC(F)F)cc2)SC(=S)N1c1ccc2c(c1)OCCO2	ZINC000001465923	568990886	/nfs/dbraw/zinc/99/08/86/568990886.db2.gz	SMIISVZCERVLGI-CXUHLZMHSA-N	0	0	421.446	4.465	50	10		HICARN
CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/C=C/c3ccco3)C2=O)cc1	ZINC000016116013	569029066	/nfs/dbraw/zinc/02/90/66/569029066.db2.gz	BRXNUNNUTXLIRZ-JLJGJNDSSA-N	0	0	404.344	4.361	50	10		HICARN
Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)c(C)n1-c1ccc(F)cc1	ZINC000006534315	569064298	/nfs/dbraw/zinc/06/42/98/569064298.db2.gz	HSMWTMWTYWMZMC-UHFFFAOYSA-N	0	0	412.412	4.356	50	10		HICARN
COc1c2cc(Cl)ccc2sc1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000064756673	569089914	/nfs/dbraw/zinc/08/99/14/569089914.db2.gz	REDCWLIKQIXDHA-UHFFFAOYSA-N	0	0	416.930	4.330	50	10		HICARN
CCc1ccc(N2C=C(C(=O)OC(C)(C)C)S(=O)(=O)c3cc(F)ccc32)cc1	ZINC000064775141	569093405	/nfs/dbraw/zinc/09/34/05/569093405.db2.gz	OJEJUOZSIDXKJO-UHFFFAOYSA-N	0	0	403.475	4.497	50	10		HICARN
CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC)C(=O)C(C)C	ZINC000006711478	569096711	/nfs/dbraw/zinc/09/67/11/569096711.db2.gz	VDTAAGKROAZGRA-KRWDZBQOSA-N	0	0	412.596	4.044	50	10		HICARN
Cc1cc(C)c(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(C)c1	ZINC000006747949	569108685	/nfs/dbraw/zinc/10/86/85/569108685.db2.gz	XIRDBPGMEFCAKU-HSZRJFAPSA-N	0	0	410.558	4.264	50	10		HICARN
Cc1ccc(C)n1-c1ccc(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C)no2)cc1	ZINC000064890296	569116295	/nfs/dbraw/zinc/11/62/95/569116295.db2.gz	OHLCJAIXUGGXOD-UHFFFAOYSA-N	0	0	411.465	4.366	50	10		HICARN
N=C1/C(=C/c2ccc(Br)cc2)C(=O)N=C2SC(c3ccccc3)=NN21	ZINC000007017997	569201170	/nfs/dbraw/zinc/20/11/70/569201170.db2.gz	IUUPJVUFGLRUNA-UKMRQWHXSA-N	0	0	411.284	4.117	50	10		HICARN
CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1	ZINC000007127537	569225401	/nfs/dbraw/zinc/22/54/01/569225401.db2.gz	SYTSVZUJAHHJGK-UHFFFAOYSA-N	0	0	420.538	4.193	50	10		HICARN
Cc1cc(NC(=O)C2CCN(C(=O)c3cc(C)n(-c4cccc(C)c4)c3C)CC2)no1	ZINC000065499164	569232557	/nfs/dbraw/zinc/23/25/57/569232557.db2.gz	DIWSFROSMWCRBB-UHFFFAOYSA-N	0	0	420.513	4.190	50	10		HICARN
COc1ccc(-c2cnc(SCC(=O)NCc3ccccc3Cl)n2C)cc1	ZINC000007423736	569238048	/nfs/dbraw/zinc/23/80/48/569238048.db2.gz	DVRNGRABEGVOPV-UHFFFAOYSA-N	0	0	401.919	4.158	50	10		HICARN
COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	ZINC000002533177	569288447	/nfs/dbraw/zinc/28/84/47/569288447.db2.gz	YYPQFOAHUQEUDR-RGEXLXHISA-N	0	0	421.547	4.387	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2	ZINC000002305185	569372419	/nfs/dbraw/zinc/37/24/19/569372419.db2.gz	HSFOMELRDXXIRB-ODLFYWEKSA-N	0	0	405.450	4.416	50	10		HICARN
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1nc2ccccc2s1	ZINC000008951776	571180770	/nfs/dbraw/zinc/18/07/70/571180770.db2.gz	YMNZVFVMFTVVDW-GXDHUFHOSA-N	0	0	415.521	4.119	50	10		HICARN
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000009461542	571260613	/nfs/dbraw/zinc/26/06/13/571260613.db2.gz	KKOPTGTXDAZBJH-QHAWAJNXSA-N	0	0	420.852	4.097	50	10		HICARN
CC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12	ZINC000009462813	571260663	/nfs/dbraw/zinc/26/06/63/571260663.db2.gz	YTGOGNHLRUMMKG-SMIHKQSGSA-N	0	0	420.468	4.198	50	10		HICARN
COc1cc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)ccc1O	ZINC000010215499	571297117	/nfs/dbraw/zinc/29/71/17/571297117.db2.gz	UQDSGRPOJIWSLD-HOYKHHGWSA-N	0	0	416.433	4.372	50	10		HICARN
Cc1ccccc1Cn1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c2ccccc21	ZINC000001168568	845002809	/nfs/dbraw/zinc/00/28/09/845002809.db2.gz	RUHJIVSJYRATTD-HZHRSRAPSA-N	0	0	407.473	4.459	50	10		HICARN
Cc1cccc(NC2=NC(=O)C(=Cc3ccccc3OCC(=O)N3CCCC3)S2)c1	ZINC000012633000	845881375	/nfs/dbraw/zinc/88/13/75/845881375.db2.gz	WIJXSMYYIJKKSP-XSFVSMFZSA-N	0	0	421.522	4.079	50	10		HICARN
O=C1C(=Cc2cccc(Br)c2)NC(=S)N1Cc1ccccc1Cl	ZINC000015282147	846027810	/nfs/dbraw/zinc/02/78/10/846027810.db2.gz	IIEVQFGWRDPMHY-OQLLNIDSSA-N	0	0	407.720	4.360	50	10		HICARN
O=C1N=C(N2CCCCC2)S/C1=C1\c2ccccc2N(Cc2ccccc2F)C1=O	ZINC000033305014	848134777	/nfs/dbraw/zinc/13/47/77/848134777.db2.gz	MBCBCMAOYKUVMK-FMQUCBEESA-N	0	0	421.497	4.199	50	10		HICARN
COc1cc(C=C2SC(NC3CCCCC3)=NC2=O)cc(Br)c1O	ZINC000096669688	852553827	/nfs/dbraw/zinc/55/38/27/852553827.db2.gz	RYDXHPMXSQPBSC-NTEUORMPSA-N	0	0	411.321	4.056	50	10		HICARN
O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1ccc(N=Nc2ccccc2)cc1	ZINC000254862576	854216220	/nfs/dbraw/zinc/21/62/20/854216220.db2.gz	YJWIWISCRWVVML-OAQYLSRUSA-N	0	0	417.421	4.424	50	10		HICARN
CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C)N2CCN(c3ccccc3)CC2)cc1	ZINC000022665106	132475347	/nfs/dbraw/zinc/47/53/47/132475347.db2.gz	DSZORGOOEGFPFJ-DEOSSOPVSA-N	0	0	422.617	4.168	50	10		HICARN
CCOc1ccc(-c2ccc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)o2)c([N+](=O)[O-])c1	ZINC000020239111	520809715	/nfs/dbraw/zinc/80/97/15/520809715.db2.gz	CXZXRCUYUIRZCD-KURFGLPPSA-N	0	0	424.438	4.420	50	10		HICARN
COc1ccc(-c2cnc(SCC(=O)Nc3nnc(C)s3)n2CC(C)C)cc1	ZINC000044085805	523150519	/nfs/dbraw/zinc/15/05/19/523150519.db2.gz	JWGRYGWXZMEDOD-UHFFFAOYSA-N	0	0	417.560	4.105	50	10		HICARN
O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1)N1CCCC1	ZINC000044086342	527068465	/nfs/dbraw/zinc/06/84/65/527068465.db2.gz	WVRUFLJRCLIOHN-UHFFFAOYSA-N	0	0	422.510	4.221	50	10		HICARN
CCOc1ccccc1/C=C1/SC(N2CCN(c3ccc(C)cc3)CC2)=NC1=O	ZINC000001471565	535486250	/nfs/dbraw/zinc/48/62/50/535486250.db2.gz	XAUDBVWJJCVKBP-LTGZKZEYSA-N	0	0	407.539	4.186	50	10		HICARN
Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1cccc(F)c1	ZINC000000628158	557024040	/nfs/dbraw/zinc/02/40/40/557024040.db2.gz	DZNWREKKWHVCTG-UHFFFAOYSA-N	0	0	407.474	4.184	50	10		HICARN
O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1nccs1	ZINC000001011314	557141966	/nfs/dbraw/zinc/14/19/66/557141966.db2.gz	VIWXNOBHPBLXRY-FMIVXFBMSA-N	0	0	409.945	4.027	50	10		HICARN
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O	ZINC000001140157	557203287	/nfs/dbraw/zinc/20/32/87/557203287.db2.gz	RIRLBQUFEFVYPS-OQLLNIDSSA-N	0	0	407.900	4.469	50	10		HICARN
Cc1ccc(CNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1	ZINC000001145644	557207540	/nfs/dbraw/zinc/20/75/40/557207540.db2.gz	UENWTVROAONRLE-ULJHMMPZSA-N	0	0	413.521	4.148	50	10		HICARN
CN1C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)N(C)C1=O	ZINC000001151024	557210998	/nfs/dbraw/zinc/21/09/98/557210998.db2.gz	OSNTYKCQPBMJLU-UHFFFAOYSA-N	0	0	419.264	4.006	50	10		HICARN
COc1ccccc1/C=C/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000001159748	557217393	/nfs/dbraw/zinc/21/73/93/557217393.db2.gz	MUCPORRWOGPTCX-AGASNCOBSA-N	0	0	411.504	4.382	50	10		HICARN
Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1	ZINC000001186649	557234401	/nfs/dbraw/zinc/23/44/01/557234401.db2.gz	UURMOJCRJXJTJZ-PXNMLYILSA-N	0	0	418.927	4.194	50	10		HICARN
O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1C[C@@H]1CCCO1	ZINC000001220062	557248101	/nfs/dbraw/zinc/24/81/01/557248101.db2.gz	UXRUPTHZIWQYIV-ADFUCPMPSA-N	0	0	416.480	4.235	50	10		HICARN
COc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S	ZINC000002305090	557335559	/nfs/dbraw/zinc/33/55/59/557335559.db2.gz	MCQMYEDGUFFKRU-AQTBWJFISA-N	0	0	412.536	4.234	50	10		HICARN
O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1	ZINC000002328831	557337685	/nfs/dbraw/zinc/33/76/85/557337685.db2.gz	JUADAACURKGNDM-CQSZACIVSA-N	0	0	405.273	4.046	50	10		HICARN
COc1cccc(OCCCOc2cccc(C=C3SC(=S)NC3=O)c2)c1	ZINC000002873978	557415934	/nfs/dbraw/zinc/41/59/34/557415934.db2.gz	OCBKIQADKKSROR-LDADJPATSA-N	0	0	401.509	4.032	50	10		HICARN
COc1cccc(OCCCOc2ccccc2C=C2SC(=S)NC2=O)c1	ZINC000002878410	557418326	/nfs/dbraw/zinc/41/83/26/557418326.db2.gz	OWPHLVHZFLNCTB-LDADJPATSA-N	0	0	401.509	4.032	50	10		HICARN
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000004550545	557566125	/nfs/dbraw/zinc/56/61/25/557566125.db2.gz	IMUXCEROWMFXMO-UHFFFAOYSA-N	0	0	405.837	4.441	50	10		HICARN
COc1cccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)c1O	ZINC000004679803	557580410	/nfs/dbraw/zinc/58/04/10/557580410.db2.gz	JKJJPODILIWZCN-HKWRFOASSA-N	0	0	408.523	4.326	50	10		HICARN
COc1ccc(CCNC(C)=C2C(C)=NN(c3nc4ccccc4s3)C2=O)cc1	ZINC000004741219	557590642	/nfs/dbraw/zinc/59/06/42/557590642.db2.gz	IKALBYYEIUVONQ-XSFVSMFZSA-N	0	0	406.511	4.134	50	10		HICARN
CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2nccs2)C1=O	ZINC000005093097	557634963	/nfs/dbraw/zinc/63/49/63/557634963.db2.gz	OAPNOUSSCFILFP-DZIWGARNSA-N	0	0	415.565	4.319	50	10		HICARN
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2cccnc2)C1=O	ZINC000005093805	557635167	/nfs/dbraw/zinc/63/51/67/557635167.db2.gz	CIQJEWUNCJLTGG-PYEASBQRSA-N	0	0	409.536	4.258	50	10		HICARN
COC(=O)c1cc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1Cl	ZINC000005575868	557662785	/nfs/dbraw/zinc/66/27/85/557662785.db2.gz	JSZLRLCWQWTHII-YBEGLDIGSA-N	0	0	404.253	4.499	50	10		HICARN
CCOC(=O)c1cc(NC=C2C(=O)N(c3ccc(F)cc3)N=C2C)ccc1Cl	ZINC000006595184	557709558	/nfs/dbraw/zinc/70/95/58/557709558.db2.gz	UIVKKUAXCJYRCJ-BOPFTXTBSA-N	0	0	401.825	4.374	50	10		HICARN
COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(C)C1=O	ZINC000008434910	557788954	/nfs/dbraw/zinc/78/89/54/557788954.db2.gz	FMXHAXJQTMQCFU-RUDMXATFSA-N	0	0	423.151	4.051	50	10		HICARN
CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3F)c(OC)c2)SC1=S	ZINC000009310720	557836173	/nfs/dbraw/zinc/83/61/73/557836173.db2.gz	KPCPAACYVOWSMP-GZTJUZNOSA-N	0	0	417.483	4.275	50	10		HICARN
CCCOc1ccccc1/C=C1/SC(N2CCN(Cc3ccccc3)CC2)=NC1=O	ZINC000020029457	558323672	/nfs/dbraw/zinc/32/36/72/558323672.db2.gz	PMRWLEPVVASYQO-OQKWZONESA-N	0	0	421.566	4.264	50	10		HICARN
O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1ccc2c(c1)OCO2	ZINC000022239500	558471422	/nfs/dbraw/zinc/47/14/22/558471422.db2.gz	UCYRFEHGJZVEEP-SFHVURJKSA-N	0	0	422.506	4.433	50	10		HICARN
COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc1OC	ZINC000004373018	558474278	/nfs/dbraw/zinc/47/42/78/558474278.db2.gz	OMDFHIHWBDBYKH-MHWRWJLKSA-N	0	0	401.260	4.272	50	10		HICARN
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004402375	558499447	/nfs/dbraw/zinc/49/94/47/558499447.db2.gz	LQBOYHYZBGRLCM-UHFFFAOYSA-N	0	0	406.781	4.276	50	10		HICARN
O=C(CN1CCC[C@H]1c1cccs1)Nc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000013095372	558512664	/nfs/dbraw/zinc/51/26/64/558512664.db2.gz	ZBHIJMCWZSTEQL-IBGZPJMESA-N	0	0	416.502	4.299	50	10		HICARN
C[C@@H]1Cc2cc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)ccc2O1	ZINC000013539981	558537449	/nfs/dbraw/zinc/53/74/49/558537449.db2.gz	XDUZESKPYJONFV-WDDBSPGISA-N	0	0	411.504	4.140	50	10		HICARN
CC(=O)Nc1ccc(NC=C2C(=O)N(c3ccc(Br)cc3)N=C2C)cc1	ZINC000013549106	558538447	/nfs/dbraw/zinc/53/84/47/558538447.db2.gz	HMOIMNMIDFMLGE-WQRHYEAKSA-N	0	0	413.275	4.126	50	10		HICARN
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O	ZINC000013597517	558547525	/nfs/dbraw/zinc/54/75/25/558547525.db2.gz	CBJDZYSQTXSFIP-MFOYZWKCSA-N	0	0	405.472	4.257	50	10		HICARN
COc1ccc(CCN2C(=O)/C(=C/c3cccc4nccnc34)SC2=S)cc1	ZINC000013692629	558573994	/nfs/dbraw/zinc/57/39/94/558573994.db2.gz	CXKSUWOGDPJGFO-AQTBWJFISA-N	0	0	407.520	4.082	50	10		HICARN
COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2ccccc2OC)C1=O	ZINC000013733769	558587703	/nfs/dbraw/zinc/58/77/03/558587703.db2.gz	SSTNXFFXONVQHB-GZTJUZNOSA-N	0	0	424.503	4.369	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C2=N)S1	ZINC000013899409	558601028	/nfs/dbraw/zinc/60/10/28/558601028.db2.gz	DZPDEMDTEGUHSG-URICHJNWSA-N	0	0	420.494	4.174	50	10		HICARN
COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc(Cl)cc1	ZINC000013899374	558601047	/nfs/dbraw/zinc/60/10/47/558601047.db2.gz	SJFCROIRXXSKRU-DHDCSXOGSA-N	0	0	405.884	4.057	50	10		HICARN
O=C(C(=O)c1cccc(Oc2ccc3c(=O)c(=O)c4cccc2c43)c1)c1ccccc1	ZINC000024605502	558602590	/nfs/dbraw/zinc/60/25/90/558602590.db2.gz	RHBSWCIWSHEZTQ-UHFFFAOYSA-N	0	0	406.393	4.447	50	10		HICARN
COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(OC)c1OC	ZINC000015008404	558699556	/nfs/dbraw/zinc/69/95/56/558699556.db2.gz	UFDCRNBQDCZQKN-GZTJUZNOSA-N	0	0	401.509	4.427	50	10		HICARN
Cc1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c(C)n1-c1ccc(C)cc1	ZINC000029845197	558722285	/nfs/dbraw/zinc/72/22/85/558722285.db2.gz	PDNIPEDYQMVJBF-JOCHJYFZSA-N	0	0	423.582	4.267	50	10		HICARN
Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccc(N(C)C)cc2)cc1	ZINC000015413279	558738523	/nfs/dbraw/zinc/73/85/23/558738523.db2.gz	VHWFPELZACHYMA-XMMPIXPASA-N	0	0	417.484	4.321	50	10		HICARN
COc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1c(C)cccc1C	ZINC000015800620	558754205	/nfs/dbraw/zinc/75/42/05/558754205.db2.gz	CZTOZJVEAUGAGD-PDGQHHTCSA-N	0	0	415.536	4.259	50	10		HICARN
COc1ccc(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)cc1	ZINC000015857373	558757214	/nfs/dbraw/zinc/75/72/14/558757214.db2.gz	WGDPJJKUEODVSW-XMHGGMMESA-N	0	0	415.536	4.374	50	10		HICARN
O=C1/C(=C/c2ccc(I)o2)SC(=S)N1C1CCCCC1	ZINC000016430323	558791217	/nfs/dbraw/zinc/79/12/17/558791217.db2.gz	DFIPSXJPWWCTCV-FLIBITNWSA-N	0	0	419.309	4.418	50	10		HICARN
CCS(=O)(=O)N1CCc2cc(-c3csc(-c4ccc(N(C)C)cc4)n3)ccc21	ZINC000016941226	558809483	/nfs/dbraw/zinc/80/94/83/558809483.db2.gz	YYXCKZOZVIAKMB-UHFFFAOYSA-N	0	0	413.568	4.255	50	10		HICARN
Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(I)cc1	ZINC000013635248	558849346	/nfs/dbraw/zinc/84/93/46/558849346.db2.gz	FLLZMZCYVKBELX-ZSOIEALJSA-N	0	0	424.263	4.023	50	10		HICARN
C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)C[C@H](C)O1	ZINC000004677375	558889599	/nfs/dbraw/zinc/88/95/99/558889599.db2.gz	SOJZAOVYKAZTPV-HEXNSGTLSA-N	0	0	408.523	4.345	50	10		HICARN
CCSC1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=N)N12	ZINC000004761573	559053427	/nfs/dbraw/zinc/05/34/27/559053427.db2.gz	KLVCMUOPDGYQOC-XGMUFTHNSA-N	0	0	409.540	4.424	50	10		HICARN
CSC1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=N)N12	ZINC000004761541	559053460	/nfs/dbraw/zinc/05/34/60/559053460.db2.gz	JRCVXRTXVWELSF-IAYHVCARSA-N	0	0	413.503	4.173	50	10		HICARN
COc1ccc(/C=C2\SC(=O)N(CCC(=O)Nc3ccc(O)cc3)C2=S)cc1	ZINC000033326799	559059489	/nfs/dbraw/zinc/05/94/89/559059489.db2.gz	SHZPUOLGFWOLAO-ATVHPVEESA-N	0	0	414.508	4.267	50	10		HICARN
Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1Cc1ccccc1	ZINC000033349057	559065325	/nfs/dbraw/zinc/06/53/25/559065325.db2.gz	TVVLRQLZIKQIOI-XKZIYDEJSA-N	0	0	403.457	4.385	50	10		HICARN
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCc1c[nH]c2ccccc12	ZINC000095910916	559088920	/nfs/dbraw/zinc/08/89/20/559088920.db2.gz	UDMMLJBZVHBLHA-HKWRFOASSA-N	0	0	417.469	4.295	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3cccn3CCOc3ccccc3C(C)C)C(=N)N2O1	ZINC000005013952	559228250	/nfs/dbraw/zinc/22/82/50/559228250.db2.gz	QOVLDRKMOPSDAS-NSMWAFFQSA-N	0	0	404.470	4.141	50	10		HICARN
CSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=N)S1	ZINC000005164363	559275803	/nfs/dbraw/zinc/27/58/03/559275803.db2.gz	SXOJFIUAJBPENY-GQZADCKHSA-N	0	0	413.503	4.173	50	10		HICARN
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c1C	ZINC000033897958	559289498	/nfs/dbraw/zinc/28/94/98/559289498.db2.gz	UXROIHQRXLMPAH-JTKJEDPUSA-N	0	0	407.499	4.132	50	10		HICARN
CSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C2=N)S1	ZINC000005478706	560595405	/nfs/dbraw/zinc/59/54/05/560595405.db2.gz	LQVVIAVWUDOCIN-INIXKHHFSA-N	0	0	409.540	4.342	50	10		HICARN
CSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=N)S1	ZINC000005490077	560597964	/nfs/dbraw/zinc/59/79/64/560597964.db2.gz	HEECFYQGJFSSFQ-LHTBISBZSA-N	0	0	413.503	4.173	50	10		HICARN
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1Br	ZINC000005517355	560604557	/nfs/dbraw/zinc/60/45/57/560604557.db2.gz	ZUWAICNPLLWVIK-UHFFFAOYSA-N	0	0	406.235	4.477	50	10		HICARN
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccccc1I	ZINC000018145968	560779997	/nfs/dbraw/zinc/77/99/97/560779997.db2.gz	AMBYDUPTEKNWOZ-RVDMUPIBSA-N	0	0	417.250	4.318	50	10		HICARN
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000102004894	560807251	/nfs/dbraw/zinc/80/72/51/560807251.db2.gz	KKOPTGTXDAZBJH-PCCBWWKXSA-N	0	0	420.852	4.097	50	10		HICARN
CC(=O)N1CCC2(CC1)N=C(c1ccc(F)cc1)C[C@H](c1cc(Cl)ccc1O)N2	ZINC000049421436	568450573	/nfs/dbraw/zinc/45/05/73/568450573.db2.gz	UTXWFEWUZPTXJN-HXUWFJFHSA-N	0	0	415.896	4.047	50	10		HICARN
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1	ZINC000000825684	568498741	/nfs/dbraw/zinc/49/87/41/568498741.db2.gz	JYAIHGSAYPJNDG-ZHZULCJRSA-N	0	0	422.437	4.261	50	10		HICARN
COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4O)=NN32)cc1	ZINC000020070676	568587302	/nfs/dbraw/zinc/58/73/02/568587302.db2.gz	PVVJSNNRVIVJAX-OFNKIYASSA-N	0	0	400.434	4.421	50	10		HICARN
CCSC1=NSC2=NC(=O)/C(=C\c3cc(Cl)c(OC)c(Cl)c3)C(=N)N12	ZINC000020205576	568594239	/nfs/dbraw/zinc/59/42/39/568594239.db2.gz	DKQMHUHOOFZXGB-PVLKGITGSA-N	0	0	415.327	4.332	50	10		HICARN
COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1Cl	ZINC000020236147	568595434	/nfs/dbraw/zinc/59/54/34/568595434.db2.gz	VBLSBYNBJVTTHH-DDGGNYNDSA-N	0	0	423.856	4.378	50	10		HICARN
COc1ccc(N2CCN(C(=O)C[C@H](c3ccccc3C)n3cccc3)CC2)cc1	ZINC000020998780	568657364	/nfs/dbraw/zinc/65/73/64/568657364.db2.gz	TUWDIQZBXFDQOQ-XMMPIXPASA-N	0	0	403.526	4.133	50	10		HICARN
COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(OC)c2O)c(OC)c1	ZINC000021360404	568690170	/nfs/dbraw/zinc/69/01/70/568690170.db2.gz	JLKDYBYAZPOZEG-JOCHJYFZSA-N	0	0	406.438	4.189	50	10		HICARN
Cc1nc[nH]c1CSCCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1	ZINC000096358929	568738843	/nfs/dbraw/zinc/73/88/43/568738843.db2.gz	BOFIBQPQNDQTNO-UHFFFAOYSA-N	0	0	420.538	4.308	50	10		HICARN
COC(=O)/C=C\c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1	ZINC000096993667	568766148	/nfs/dbraw/zinc/76/61/48/568766148.db2.gz	GPDWVCUJXTVNFK-OEPRFQHASA-N	0	0	424.453	4.284	50	10		HICARN
CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N(C)C1=O	ZINC000001123176	568772932	/nfs/dbraw/zinc/77/29/32/568772932.db2.gz	KPNLNHARMQMKHE-UHFFFAOYSA-N	0	0	419.264	4.006	50	10		HICARN
Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1-c1ccc(F)c(Cl)c1	ZINC000005971709	568833414	/nfs/dbraw/zinc/83/34/14/568833414.db2.gz	YBXUIAOPQXWBMV-UHFFFAOYSA-N	0	0	403.797	4.452	50	10		HICARN
CCn1c2ccccc2c2cc(C=C3C(=O)N(CC)C(=S)N(CC)C3=O)ccc21	ZINC000003771595	568868297	/nfs/dbraw/zinc/86/82/97/568868297.db2.gz	ZUCZOGILFCVVPJ-UHFFFAOYSA-N	0	0	405.523	4.193	50	10		HICARN
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(CC(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000003382083	568892738	/nfs/dbraw/zinc/89/27/38/568892738.db2.gz	BZIIBNIRDZQJTM-QFIPXVFZSA-N	0	0	415.921	4.287	50	10		HICARN
Cc1cc(C(=O)NCCc2ccc(F)c(Br)c2)c(C)n1-c1ccccn1	ZINC000084081369	568936144	/nfs/dbraw/zinc/93/61/44/568936144.db2.gz	NKNKIESXYDYYTG-UHFFFAOYSA-N	0	0	416.294	4.363	50	10		HICARN
COC(=O)c1ccc([C@H]2N=C(c3ccc(OC)cc3)C[C@@H](c3ccccc3O)N2)cc1	ZINC000053363547	569027632	/nfs/dbraw/zinc/02/76/32/569027632.db2.gz	IALQLKNASWFOCK-UPVQGACJSA-N	0	0	416.477	4.410	50	10		HICARN
CN(C)c1ccc(CNC(=O)c2ccn3c(c2)nnc3-c2cccc(Cl)c2)cc1	ZINC000064459990	569063039	/nfs/dbraw/zinc/06/30/39/569063039.db2.gz	GLQSOMOUGRHPEP-UHFFFAOYSA-N	0	0	405.889	4.046	50	10		HICARN
CCN1c2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc2Oc2ccccc2C1=O	ZINC000064677333	569081530	/nfs/dbraw/zinc/08/15/30/569081530.db2.gz	BIIZNOMPAVGCGW-UHFFFAOYSA-N	0	0	415.493	4.455	50	10		HICARN
CC(=O)OCCNc1cc(N2CCCCCC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000006737867	569106390	/nfs/dbraw/zinc/10/63/90/569106390.db2.gz	QKZDXBHLMZYMFJ-UHFFFAOYSA-N	0	0	419.481	4.395	50	10		HICARN
CCc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(Oc4ccccc4)cc3)=N2)cc1	ZINC000006817832	569138730	/nfs/dbraw/zinc/13/87/30/569138730.db2.gz	PPUYZPXPKCNYKL-QFIPXVFZSA-N	0	0	413.477	4.388	50	10		HICARN
COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccco1	ZINC000036359465	569150764	/nfs/dbraw/zinc/15/07/64/569150764.db2.gz	XNUDFGYZYAJVPB-UHFFFAOYSA-N	0	0	402.454	4.301	50	10		HICARN
CCOC(=O)N1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C[C@H](c1ccccc1O)N2	ZINC000065297937	569219227	/nfs/dbraw/zinc/21/92/27/569219227.db2.gz	FKEYOYRVIWAEMN-JOCHJYFZSA-N	0	0	421.541	4.481	50	10		HICARN
COc1cc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccn2)ccc1O	ZINC000007570812	569263398	/nfs/dbraw/zinc/26/33/98/569263398.db2.gz	WAEQKLDNPDDUKK-WZONZLPQSA-N	0	0	403.438	4.047	50	10		HICARN
Oc1ccc(Cl)cc1C1=NN[C@@H](c2cc(Br)cc3c2OCOC3)C1	ZINC000013124862	569409691	/nfs/dbraw/zinc/40/96/91/569409691.db2.gz	ZRBLHQJXXKLBFX-OAHLLOKOSA-N	0	0	409.667	4.113	50	10		HICARN
Cc1cc(=O)[nH]c(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(N(C)C)cc2)n1	ZINC000009489505	571262656	/nfs/dbraw/zinc/26/26/56/571262656.db2.gz	ITUWERBZMQYTRF-FQEVSTJZSA-N	0	0	407.905	4.153	50	10		HICARN
CN(C)c1ccc([C@@H](CNC(=O)NC2CCCCC2)N2CCc3ccccc32)cc1	ZINC000009529651	571266664	/nfs/dbraw/zinc/26/66/64/571266664.db2.gz	IRFIDQPXXBJVDG-XMMPIXPASA-N	0	0	406.574	4.488	50	10		HICARN
CNC(=O)c1ccc(CN(C)C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)cc1	ZINC000007257905	845297984	/nfs/dbraw/zinc/29/79/84/845297984.db2.gz	CNOHVZCZKFEEQJ-LFIBNONCSA-N	0	0	405.542	4.098	50	10		HICARN
O=C1C(=CNCc2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1	ZINC000019606528	846368619	/nfs/dbraw/zinc/36/86/19/846368619.db2.gz	UHFIZJBNAMBWRQ-UHFFFAOYSA-N	0	0	409.530	4.116	50	10		HICARN
O=C1C(=Cc2nc3ccccc3[nH]2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	ZINC000002229175	132250045	/nfs/dbraw/zinc/25/00/45/132250045.db2.gz	DDNBGLCGHOBUFJ-UHFFFAOYSA-N	0	0	408.417	4.146	50	10		HICARN
O=C1C(=Cc2ccccc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	ZINC000002903443	132259271	/nfs/dbraw/zinc/25/92/71/132259271.db2.gz	LVCGPAUAIDWAJZ-UHFFFAOYSA-N	0	0	413.389	4.178	50	10		HICARN
CC(=O)OCCNc1cc(N2CCCCC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000006737845	132314066	/nfs/dbraw/zinc/31/40/66/132314066.db2.gz	UACXMOGJGMSWNS-UHFFFAOYSA-N	0	0	405.454	4.005	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)cc1	ZINC000008131474	132327676	/nfs/dbraw/zinc/32/76/76/132327676.db2.gz	RPYTWGPKBMTYQC-UHFFFAOYSA-N	0	0	413.477	4.466	50	10		HICARN
Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000010057346	132345019	/nfs/dbraw/zinc/34/50/19/132345019.db2.gz	IODKOIYFXYNXNT-UHFFFAOYSA-N	0	0	409.917	4.305	50	10		HICARN
CC(C)CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=N)S1	ZINC000032964414	519632007	/nfs/dbraw/zinc/63/20/07/519632007.db2.gz	SESIULKQYNQIOF-PHMXDFFTSA-N	0	0	422.470	4.051	50	10		HICARN
CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(OCC)cc3)C2=N)S1	ZINC000032964111	519894741	/nfs/dbraw/zinc/89/47/41/519894741.db2.gz	FGCZFYFDWVZGTL-DTRPCSQLSA-N	0	0	407.499	4.295	50	10		HICARN
C[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(N2CCC[C@H](C)C2)cc1	ZINC000044854987	525325897	/nfs/dbraw/zinc/32/58/97/525325897.db2.gz	ZXWLWGLDLORQAZ-LEWJYISDSA-N	0	0	421.585	4.246	50	10		HICARN
COc1cccc(-n2c(C)cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c2C)c1	ZINC000032449018	525747104	/nfs/dbraw/zinc/74/71/04/525747104.db2.gz	DMXVILGYSISGMP-UHFFFAOYSA-N	0	0	410.470	4.381	50	10		HICARN
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1O	ZINC000001023080	557144144	/nfs/dbraw/zinc/14/41/44/557144144.db2.gz	GPDRCFKWKBDNIM-OVCLIPMQSA-N	0	0	407.900	4.469	50	10		HICARN
O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000001196605	557238035	/nfs/dbraw/zinc/23/80/35/557238035.db2.gz	WKVHQSALXDBVJW-YPKPFQOOSA-N	0	0	406.410	4.434	50	10		HICARN
O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)cc1	ZINC000001233969	557250286	/nfs/dbraw/zinc/25/02/86/557250286.db2.gz	CEOTYHVCDODKRV-LFIBNONCSA-N	0	0	418.927	4.276	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC	ZINC000001416716	557260117	/nfs/dbraw/zinc/26/01/17/557260117.db2.gz	UOIVWFDJURJVSF-PDGQHHTCSA-N	0	0	400.525	4.176	50	10		HICARN
COCCN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)SC1=S	ZINC000002980627	557435115	/nfs/dbraw/zinc/43/51/15/557435115.db2.gz	ISKBZLVSEJINHS-PDGQHHTCSA-N	0	0	403.500	4.252	50	10		HICARN
CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(N(C)C)cc1	ZINC000003655202	557496855	/nfs/dbraw/zinc/49/68/55/557496855.db2.gz	JZKUIWPFJOAPIT-NRFANRHFSA-N	0	0	421.526	4.161	50	10		HICARN
CC(C)(C)c1cc(/C=C2\SC(N3CCOCC3)=NC2=O)cc(C(C)(C)C)c1O	ZINC000004816030	557601496	/nfs/dbraw/zinc/60/14/96/557601496.db2.gz	LUYZHWWDPXRALB-LGMDPLHJSA-N	0	0	402.560	4.290	50	10		HICARN
COCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccs3)cc2)SC1=S	ZINC000002682490	557739927	/nfs/dbraw/zinc/73/99/27/557739927.db2.gz	FZNPUSLAZWAXSK-VBKFSLOCSA-N	0	0	419.549	4.205	50	10		HICARN
COc1cccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c1	ZINC000002699409	557741706	/nfs/dbraw/zinc/74/17/06/557741706.db2.gz	KSUHKPDDMXJTGB-CPNJWEJPSA-N	0	0	415.536	4.156	50	10		HICARN
CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1	ZINC000009188491	557826044	/nfs/dbraw/zinc/82/60/44/557826044.db2.gz	RRTHENATYYWEHZ-BOPFTXTBSA-N	0	0	417.508	4.214	50	10		HICARN
CCOC(=O)CCCCCNC1=C2Sc3ncnc(OC)c3N=C2CC(C)(C)C1	ZINC000020676105	558399901	/nfs/dbraw/zinc/39/99/01/558399901.db2.gz	VLGRTSLBULILQD-UHFFFAOYSA-N	0	0	418.563	4.408	50	10		HICARN
COc1ccc(-c2cc3ccc([O-])c(C[N@@H+]4CCC[C@H](C)C4)c3oc2=O)cc1OC	ZINC000004353850	558439474	/nfs/dbraw/zinc/43/94/74/558439474.db2.gz	PTGPSLGKLLBYRZ-HNNXBMFYSA-N	0	0	409.482	4.415	50	10		HICARN
COc1ccc(-c2cc3ccc([O-])c(C[NH+]4CCC(C)CC4)c3oc2=O)cc1OC	ZINC000004353854	558439534	/nfs/dbraw/zinc/43/95/34/558439534.db2.gz	BYYYYAKCFPIBKS-UHFFFAOYSA-N	0	0	409.482	4.415	50	10		HICARN
CCc1nnc(SCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)[nH]1	ZINC000022186842	558465477	/nfs/dbraw/zinc/46/54/77/558465477.db2.gz	PZPKDZXXQZOHPS-UHFFFAOYSA-N	0	0	406.458	4.351	50	10		HICARN
COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccccc2)cc1OC	ZINC000013121863	558517500	/nfs/dbraw/zinc/51/75/00/558517500.db2.gz	NCTZNXQQLNRIJV-HXUWFJFHSA-N	0	0	402.450	4.401	50	10		HICARN
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1	ZINC000013638639	558555295	/nfs/dbraw/zinc/55/52/95/558555295.db2.gz	KHQDGDMVFGTXLC-AQTBWJFISA-N	0	0	412.536	4.321	50	10		HICARN
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NC1CCCC1	ZINC000013800771	558594574	/nfs/dbraw/zinc/59/45/74/558594574.db2.gz	OBIHGUACRVNNAZ-VBKFSLOCSA-N	0	0	408.976	4.380	50	10		HICARN
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCCCC3)C2=O)cc1	ZINC000013814851	558596052	/nfs/dbraw/zinc/59/60/52/558596052.db2.gz	YSBDWFIDEGRWPT-SDXDJHTJSA-N	0	0	402.585	4.379	50	10		HICARN
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(SC)cc1	ZINC000004525732	558653237	/nfs/dbraw/zinc/65/32/37/558653237.db2.gz	JOLYOAAZRIARDX-MOSHPQCFSA-N	0	0	409.507	4.290	50	10		HICARN
CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(CCOC)C3=O)c2c1	ZINC000015010772	558700188	/nfs/dbraw/zinc/70/01/88/558700188.db2.gz	JVCHXRVLKYKBNK-UYRXBGFRSA-N	0	0	417.552	4.485	50	10		HICARN
CCOC(=O)C1CCN(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)CC1	ZINC000015024863	558703500	/nfs/dbraw/zinc/70/35/00/558703500.db2.gz	PEVVBDVQZFXXLC-UHFFFAOYSA-N	0	0	414.571	4.274	50	10		HICARN
COc1ccc(N2CCN(Cc3nc(-c4ccc(OC)c(C)c4)oc3C)CC2)cc1	ZINC000055270004	558877910	/nfs/dbraw/zinc/87/79/10/558877910.db2.gz	ZLPBFLOTHSAFHB-UHFFFAOYSA-N	0	0	407.514	4.298	50	10		HICARN
CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C(C)(C)C)cc1	ZINC000004732562	559033212	/nfs/dbraw/zinc/03/32/12/559033212.db2.gz	FJNSDGXBCOKQLZ-UHFFFAOYSA-N	0	0	406.534	4.485	50	10		HICARN
Cc1ccccc1Sc1nccnc1SCC(=O)NCc1ccc(N(C)C)cc1	ZINC000033289010	559044447	/nfs/dbraw/zinc/04/44/47/559044447.db2.gz	BTUFGGGNDVWKMJ-UHFFFAOYSA-N	0	0	424.595	4.411	50	10		HICARN
O=C1C(=CNCc2ccncc2)C(c2ccccc2)=NN1c1nc2ccccc2s1	ZINC000100576423	559136800	/nfs/dbraw/zinc/13/68/00/559136800.db2.gz	MACANMXKZVUKGZ-OBGWFSINSA-N	0	0	411.490	4.116	50	10		HICARN
COCCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S	ZINC000004833602	559165108	/nfs/dbraw/zinc/16/51/08/559165108.db2.gz	HSKDHMWRCCZTEA-LFIBNONCSA-N	0	0	404.469	4.093	50	10		HICARN
O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1cccs1	ZINC000004863417	559193465	/nfs/dbraw/zinc/19/34/65/559193465.db2.gz	RSCBUVOOKNCYIL-UHFFFAOYSA-N	0	0	410.834	4.217	50	10		HICARN
CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)cc1	ZINC000005102363	559246603	/nfs/dbraw/zinc/24/66/03/559246603.db2.gz	ZVGYKLFRQRBVPO-FJRYHWHXSA-N	0	0	403.511	4.200	50	10		HICARN
COc1ccc([C@H](C[N+](=O)[O-])C2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1	ZINC000000838866	559286775	/nfs/dbraw/zinc/28/67/75/559286775.db2.gz	AREJMZKFEFSELX-NRFANRHFSA-N	0	0	401.418	4.073	50	10		HICARN
COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)c([N+](=O)[O-])cc1OC	ZINC000005173556	559288296	/nfs/dbraw/zinc/28/82/96/559288296.db2.gz	WVEMYUSXOCJMQS-CHHVJCJISA-N	0	0	401.806	4.072	50	10		HICARN
COc1cc(C=C2SC(NC3CCCCC3)=NC2=O)cc(OC)c1OC(F)F	ZINC000097990784	560758515	/nfs/dbraw/zinc/75/85/15/560758515.db2.gz	LHTSSHSQVNNUHG-XNTDXEJSSA-N	0	0	412.458	4.198	50	10		HICARN
CC(=O)Nc1ccc(NC=C2C(=O)N(c3ccc(Br)cc3)N=C2C)cc1	ZINC000101114076	560786782	/nfs/dbraw/zinc/78/67/82/560786782.db2.gz	HMOIMNMIDFMLGE-WOJGMQOQSA-N	0	0	413.275	4.126	50	10		HICARN
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1cccc(Br)c1	ZINC000005701122	560796804	/nfs/dbraw/zinc/79/68/04/560796804.db2.gz	UYOBPHQGZDOPAX-LDADJPATSA-N	0	0	412.283	4.322	50	10		HICARN
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	ZINC000101673530	560797902	/nfs/dbraw/zinc/79/79/02/560797902.db2.gz	LHJJZFDDXAUOAW-PXLXIMEGSA-N	0	0	422.525	4.112	50	10		HICARN
CC1=CSC2=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C(=N)N12	ZINC000049652932	560807621	/nfs/dbraw/zinc/80/76/21/560807621.db2.gz	NLWMMJIIRRRVKQ-DTGSLFFUSA-N	0	0	413.846	4.206	50	10		HICARN
CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@@H]3C2=O)cc1	ZINC000102759328	560826014	/nfs/dbraw/zinc/82/60/14/560826014.db2.gz	NVMAYDQLCQMJDL-RJGXRXQPSA-N	0	0	414.461	4.006	50	10		HICARN
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(I)cc1C	ZINC000105613928	560876275	/nfs/dbraw/zinc/87/62/75/560876275.db2.gz	NSTMPUZTOAHHGJ-LFIBNONCSA-N	0	0	417.250	4.318	50	10		HICARN
O=C(C1=CN(c2cccc(Cl)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1	ZINC000049003870	568446474	/nfs/dbraw/zinc/44/64/74/568446474.db2.gz	LJEIHQHRMBZJRZ-UHFFFAOYSA-N	0	0	423.321	4.383	50	10		HICARN
Cc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1F	ZINC000049003824	568446568	/nfs/dbraw/zinc/44/65/68/568446568.db2.gz	ATPQWUSVXAMSSS-UHFFFAOYSA-N	0	0	414.502	4.159	50	10		HICARN
CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000008389988	568499946	/nfs/dbraw/zinc/49/99/46/568499946.db2.gz	ZUQGOVKCKNBYII-UHFFFAOYSA-N	0	0	406.857	4.246	50	10		HICARN
C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc21	ZINC000019938608	568585889	/nfs/dbraw/zinc/58/58/89/568585889.db2.gz	PDDVWHNZUGPPBD-OAHLLOKOSA-N	0	0	407.466	4.311	50	10		HICARN
C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc32)C1	ZINC000019938606	568585929	/nfs/dbraw/zinc/58/59/29/568585929.db2.gz	OWAOHIRVBHJHCD-OAHLLOKOSA-N	0	0	407.466	4.169	50	10		HICARN
COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c2C)c1	ZINC000020037424	568586750	/nfs/dbraw/zinc/58/67/50/568586750.db2.gz	XZQQOVLGZPNFQM-WAJQDEFNSA-N	0	0	422.510	4.278	50	10		HICARN
COc1ccc(-c2ccc(/C=C3\C(=O)N=C4SC(C)=CN4C3=N)o2)c([N+](=O)[O-])c1	ZINC000020239114	568595923	/nfs/dbraw/zinc/59/59/23/568595923.db2.gz	GJGACBJBXCPXSQ-ZBFCSYKESA-N	0	0	410.411	4.030	50	10		HICARN
CC(C)c1ccc(/C=C2\C(=N)N3N=C(c4ccc5c(c4)OCO5)SC3=NC2=O)cc1	ZINC000080348219	568603800	/nfs/dbraw/zinc/60/38/00/568603800.db2.gz	KRLUTJWEVVZMJQ-GICBFTDPSA-N	0	0	418.478	4.206	50	10		HICARN
CCOC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[NH+]3CCCCC3)c2=O)cc1	ZINC000020394589	568604210	/nfs/dbraw/zinc/60/42/10/568604210.db2.gz	RMWJKGQDKNLFHN-UHFFFAOYSA-N	0	0	423.465	4.454	50	10		HICARN
Cc1ccc(NC(=O)[C@H](C)N2CCOc3cc(N(C)C)ccc32)c(Br)c1	ZINC000095446820	568612296	/nfs/dbraw/zinc/61/22/96/568612296.db2.gz	GUFNJYYVQNXBSD-AWEZNQCLSA-N	0	0	418.335	4.050	50	10		HICARN
COc1cccc(Oc2c(=O)c3ccc([O-])c(C[NH+](C)C)c3oc2C(F)(F)F)c1	ZINC000020649092	568639153	/nfs/dbraw/zinc/63/91/53/568639153.db2.gz	DNDWQKHIXUNQCT-UHFFFAOYSA-N	0	0	409.360	4.380	50	10		HICARN
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(OC(F)F)cc1OC(F)F	ZINC000021191537	568680055	/nfs/dbraw/zinc/68/00/55/568680055.db2.gz	VREWWNHPTOQLHA-JYRVWZFOSA-N	0	0	404.385	4.346	50	10		HICARN
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1	ZINC000000851126	568712303	/nfs/dbraw/zinc/71/23/03/568712303.db2.gz	COTFJCWRQNJXOT-LFIBNONCSA-N	0	0	419.300	4.012	50	10		HICARN
CCCCN1C(=O)/C(=C/C=C\c2ccccc2)C(=O)N(CCc2ccccc2)C1=O	ZINC000210979969	568749224	/nfs/dbraw/zinc/74/92/24/568749224.db2.gz	OENNPGRBKXJGRD-FPDIYADQSA-N	0	0	402.494	4.460	50	10		HICARN
Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccccc1F	ZINC000000934418	568751629	/nfs/dbraw/zinc/75/16/29/568751629.db2.gz	RKKBXZCONACIIV-UHFFFAOYSA-N	0	0	407.474	4.184	50	10		HICARN
Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1-c1ccc(Cl)c(Cl)c1	ZINC000002653558	568797126	/nfs/dbraw/zinc/79/71/26/568797126.db2.gz	WWYQOSICNJHHNV-UHFFFAOYSA-N	0	0	410.253	4.015	50	10		HICARN
COc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)c1	ZINC000001191283	568822864	/nfs/dbraw/zinc/82/28/64/568822864.db2.gz	PWEVVNMYXTYQNX-LDADJPATSA-N	0	0	412.536	4.234	50	10		HICARN
COc1ccc(N2CCCN(Cn3nc(C)n(-c4ccc(C)cc4)c3=S)CC2)cc1	ZINC000058031731	568878960	/nfs/dbraw/zinc/87/89/60/568878960.db2.gz	HXQSRERUHRYFDM-UHFFFAOYSA-N	0	0	423.586	4.199	50	10		HICARN
CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccc3)c2C)c1	ZINC000003367223	568889337	/nfs/dbraw/zinc/88/93/37/568889337.db2.gz	OHMMPYXSRPDGSF-GOSISDBHSA-N	0	0	404.466	4.481	50	10		HICARN
COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1	ZINC000003652588	568922788	/nfs/dbraw/zinc/92/27/88/568922788.db2.gz	DMFSVWAKMPWIHG-LPYMAVHISA-N	0	0	419.456	4.335	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)C2=N)S1	ZINC000004001263	568932683	/nfs/dbraw/zinc/93/26/83/568932683.db2.gz	KNGNHXZRNQEPRO-GESHDMKESA-N	0	0	408.458	4.434	50	10		HICARN
C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2cc(-c3nc4ccccc4n3C)c(=O)oc21	ZINC000004136455	568945596	/nfs/dbraw/zinc/94/55/96/568945596.db2.gz	YUTUOAUIMNVUPQ-HNNXBMFYSA-N	0	0	403.482	4.427	50	10		HICARN
O=C(CSc1nc2ccccc2[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000006188386	569029652	/nfs/dbraw/zinc/02/96/52/569029652.db2.gz	CTFWZANNMNBQLI-UHFFFAOYSA-N	0	0	413.458	4.069	50	10		HICARN
CN(C)c1ccc([C@H](CNC(=O)c2cccs2)N2CCc3ccccc3C2)cc1	ZINC000035349262	569033404	/nfs/dbraw/zinc/03/34/04/569033404.db2.gz	XDNWYGQOOHIFDR-QFIPXVFZSA-N	0	0	405.567	4.344	50	10		HICARN
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1	ZINC000102570691	569040247	/nfs/dbraw/zinc/04/02/47/569040247.db2.gz	OLFAKKHIXDORCS-LTGZKZEYSA-N	0	0	418.474	4.260	50	10		HICARN
COc1ccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)c(C)c3)CC2)cc1	ZINC000006613142	569074271	/nfs/dbraw/zinc/07/42/71/569074271.db2.gz	LUUSLPMCCVZUCY-UHFFFAOYSA-N	0	0	402.922	4.163	50	10		HICARN
COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4O)=NN32)cc1	ZINC000006721618	569099151	/nfs/dbraw/zinc/09/91/51/569099151.db2.gz	PVVJSNNRVIVJAX-REWPJTCUSA-N	0	0	400.434	4.421	50	10		HICARN
Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	ZINC000006747960	569108627	/nfs/dbraw/zinc/10/86/27/569108627.db2.gz	DNRLAUQAEHDHHS-NRFANRHFSA-N	0	0	416.949	4.301	50	10		HICARN
CCOc1ccc(N(C)[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000006804206	569130795	/nfs/dbraw/zinc/13/07/95/569130795.db2.gz	FGOPNBYTPYPUTN-LEWJYISDSA-N	0	0	422.978	4.465	50	10		HICARN
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3ccccc3oc2=O)cc1	ZINC000006804339	569131365	/nfs/dbraw/zinc/13/13/65/569131365.db2.gz	SQQMOPAZLSTIMJ-UHFFFAOYSA-N	0	0	402.450	4.295	50	10		HICARN
CCC(=O)N1CCc2cc(CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)ccc21	ZINC000064978063	569140208	/nfs/dbraw/zinc/14/02/08/569140208.db2.gz	OCWAJMLBLZICML-UHFFFAOYSA-N	0	0	401.510	4.323	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2cc(C)cc(C)c2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000006831417	569147605	/nfs/dbraw/zinc/14/76/05/569147605.db2.gz	GRJJHDBKMRKJBP-UHFFFAOYSA-N	0	0	405.450	4.479	50	10		HICARN
COc1cc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)ccc1O	ZINC000240104325	569240027	/nfs/dbraw/zinc/24/00/27/569240027.db2.gz	UQDSGRPOJIWSLD-KOSHJBKYSA-N	0	0	416.433	4.372	50	10		HICARN
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1-c1ccc2c(c1)OCO2	ZINC000009909390	569251601	/nfs/dbraw/zinc/25/16/01/569251601.db2.gz	ATJCMONZPVFIDV-UHFFFAOYSA-N	0	0	424.526	4.116	50	10		HICARN
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000010056803	569253024	/nfs/dbraw/zinc/25/30/24/569253024.db2.gz	CIZKTKVAXFTCBF-UHFFFAOYSA-N	0	0	415.541	4.157	50	10		HICARN
Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)Nc1cccc(Cl)c1C	ZINC000019794007	569429980	/nfs/dbraw/zinc/42/99/80/569429980.db2.gz	FIDMNPKVORULAC-UHFFFAOYSA-N	0	0	414.889	4.493	50	10		HICARN
COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccc(F)cc1	ZINC000019855481	569431213	/nfs/dbraw/zinc/43/12/13/569431213.db2.gz	OEYVIZRICFVCJT-UHFFFAOYSA-N	0	0	416.456	4.457	50	10		HICARN
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccnc1	ZINC000008714036	571105513	/nfs/dbraw/zinc/10/55/13/571105513.db2.gz	LFZKHTFDQPASFW-WJDWOHSUSA-N	0	0	417.943	4.355	50	10		HICARN
Cc1cc(C2=Nn3c(nnc3-c3ccncc3)S[C@@H]2C)c(C)n1-c1ccccc1	ZINC000008745052	571110935	/nfs/dbraw/zinc/11/09/35/571110935.db2.gz	LUAUOIWMLIZBKP-MRXNPFEDSA-N	0	0	400.511	4.494	50	10		HICARN
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1ccc(=O)[nH]n1	ZINC000040150120	571198506	/nfs/dbraw/zinc/19/85/06/571198506.db2.gz	NBNKKSOCEAFUTE-INIZCTEOSA-N	0	0	416.403	4.108	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(O)c2)c1	ZINC000245298309	571223609	/nfs/dbraw/zinc/22/36/09/571223609.db2.gz	ZMNHUPQTIJUAJJ-YKSBVNFPSA-N	0	0	418.449	4.357	50	10		HICARN
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@]3(C)C2=O)cc1	ZINC000245298191	571223697	/nfs/dbraw/zinc/22/36/97/571223697.db2.gz	YGVZHYKKKOYDPE-OTNCWRBYSA-N	0	0	414.461	4.142	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(O)c(OC)c2)c1	ZINC000245311388	571224122	/nfs/dbraw/zinc/22/41/22/571224122.db2.gz	OSQAFIRXZLACFF-CYFREDJKSA-N	0	0	418.449	4.357	50	10		HICARN
CCSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C2=N)S1	ZINC000009235688	571239980	/nfs/dbraw/zinc/23/99/80/571239980.db2.gz	WLMORDWSPGRJHC-WBIXSPHCSA-N	0	0	423.567	4.483	50	10		HICARN
Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1C	ZINC000009310643	571247179	/nfs/dbraw/zinc/24/71/79/571247179.db2.gz	WQFKTWBKQCSNGP-WOJGMQOQSA-N	0	0	412.536	4.152	50	10		HICARN
C[C@H]1CN(C2=NC(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)S2)C[C@H](C)O1	ZINC000009971880	571293282	/nfs/dbraw/zinc/29/32/82/571293282.db2.gz	QNCSOMIBIKOPGD-HWIMVUCQSA-N	0	0	420.332	4.010	50	10		HICARN
COc1cc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)ccc1O	ZINC000010215498	571297067	/nfs/dbraw/zinc/29/70/67/571297067.db2.gz	UQDSGRPOJIWSLD-MHECFPHRSA-N	0	0	416.433	4.372	50	10		HICARN
O=C1N=C(NC2CCCC2)SC1=Cc1ccc(OC(F)F)cc1OC(F)F	ZINC000035403637	848143973	/nfs/dbraw/zinc/14/39/73/848143973.db2.gz	ARARZBFMBKRUGM-NTUHNPAUSA-N	0	0	404.385	4.392	50	10		HICARN
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)s1	ZINC000102570355	852664892	/nfs/dbraw/zinc/66/48/92/852664892.db2.gz	NZNGRCGIRYFJDE-SFQUDFHCSA-N	0	0	421.444	4.410	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](c3noc(-c4ccccn4)n3)C2)cc1	ZINC000169773312	853660484	/nfs/dbraw/zinc/66/04/84/853660484.db2.gz	OAKHMVIBEWMMOH-LJQANCHMSA-N	0	0	413.481	4.169	50	10		HICARN
NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	ZINC000254757453	854214023	/nfs/dbraw/zinc/21/40/23/854214023.db2.gz	QXAPBVXQTWQIKK-UHFFFAOYSA-N	0	0	417.425	4.388	50	10		HICARN
O=C1c2ccccc2C(=O)c2c1cccc2N1CCN(C/C=C/c2ccccc2)CC1	ZINC000004182358	132272588	/nfs/dbraw/zinc/27/25/88/132272588.db2.gz	HPWGVFPVPZFWBA-JXMROGBWSA-N	0	0	408.501	4.297	50	10		HICARN
Cc1ccc(C)n1-c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc(F)cc2)CC1	ZINC000004307625	132274788	/nfs/dbraw/zinc/27/47/88/132274788.db2.gz	IUAJSZFWBGBQMO-UHFFFAOYSA-N	0	0	422.460	4.104	50	10		HICARN
CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3C)C2=N)S1	ZINC000032964137	519894399	/nfs/dbraw/zinc/89/43/99/519894399.db2.gz	FTLKUZDXHLJCNH-XGXACIPPSA-N	0	0	422.470	4.113	50	10		HICARN
CCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=N)S1	ZINC000032964183	519917434	/nfs/dbraw/zinc/91/74/34/519917434.db2.gz	HECURDLJUPSRAT-RXVRHCFJSA-N	0	0	422.470	4.195	50	10		HICARN
CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3Cl)C2=N)S1	ZINC000032964067	520900843	/nfs/dbraw/zinc/90/08/43/520900843.db2.gz	XIFFYUJLFCOJGJ-UVWQWMPESA-N	0	0	404.282	4.423	50	10		HICARN
CCCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)C(=O)N(c2ccccc2)C1=S	ZINC000020136125	521698492	/nfs/dbraw/zinc/69/84/92/521698492.db2.gz	YDUSMPKGZGZCRB-XMHGGMMESA-N	0	0	403.507	4.430	50	10		HICARN
CN(C)c1ccc(CNc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1	ZINC000032943549	522216222	/nfs/dbraw/zinc/21/62/22/522216222.db2.gz	MPZUELSGIAGUKD-UHFFFAOYSA-N	0	0	424.570	4.088	50	10		HICARN
COC(=O)Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Cl)cc1	ZINC000044085946	523390215	/nfs/dbraw/zinc/39/02/15/523390215.db2.gz	VWOWVHFFNFDUEQ-UHFFFAOYSA-N	0	0	415.902	4.107	50	10		HICARN
Cc1cccc(C)c1-n1cccc1/C=C1\C(=N)N2N=C(c3ccco3)SC2=NC1=O	ZINC000032964266	524243142	/nfs/dbraw/zinc/24/31/42/524243142.db2.gz	LPXRTFPRJXXNSX-ONNBZHDSSA-N	0	0	415.478	4.355	50	10		HICARN
Cc1cc(C)cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)c1	ZINC000044169816	524413945	/nfs/dbraw/zinc/41/39/45/524413945.db2.gz	VUPISOROPNLYCT-UHFFFAOYSA-N	0	0	410.539	4.329	50	10		HICARN
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1cccc[n+]1[O-]	ZINC000053968979	525621951	/nfs/dbraw/zinc/62/19/51/525621951.db2.gz	MHHRNOQKMOVTMV-GOSISDBHSA-N	0	0	415.415	4.245	50	10		HICARN
Fc1c(F)c(N2CCc3ccccc3C2)c(F)c(F)c1/C=C/CN1CCOCC1	ZINC000020406236	526293194	/nfs/dbraw/zinc/29/31/94/526293194.db2.gz	BAKODLHBPHDSJX-ZZXKWVIFSA-N	0	0	406.423	4.151	50	10		HICARN
Cc1nnc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2CC(C)C)s1	ZINC000044085815	526363945	/nfs/dbraw/zinc/36/39/45/526363945.db2.gz	ZCJJZTYFABLSBK-UHFFFAOYSA-N	0	0	401.561	4.405	50	10		HICARN
COc1ccc(N2CCN(C(=O)COc3ccc4oc5ccccc5c4c3)CC2)cc1	ZINC000006831745	536683328	/nfs/dbraw/zinc/68/33/28/536683328.db2.gz	HKAAGIXXBXAZSX-UHFFFAOYSA-N	0	0	416.477	4.322	50	10		HICARN
COc1ccc(N2CCN(S(=O)(=O)c3ccc4oc5ccccc5c4c3)CC2)cc1	ZINC000008815664	536701085	/nfs/dbraw/zinc/70/10/85/536701085.db2.gz	YXRDMNNPQMQDAS-UHFFFAOYSA-N	0	0	422.506	4.106	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccs1	ZINC000000631821	557027104	/nfs/dbraw/zinc/02/71/04/557027104.db2.gz	ZGYXRLCPGOGNCJ-GDNBJRDFSA-N	0	0	404.285	4.388	50	10		HICARN
O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1C[C@H]1CCCO1	ZINC000001087658	557176933	/nfs/dbraw/zinc/17/69/33/557176933.db2.gz	ZTLRPNBAVPUXJC-VGSSETLESA-N	0	0	416.480	4.235	50	10		HICARN
COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)c2C)c1	ZINC000003659308	557497120	/nfs/dbraw/zinc/49/71/20/557497120.db2.gz	ILHVPWKCSREAHC-UUYOSTAYSA-N	0	0	419.456	4.335	50	10		HICARN
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1O	ZINC000004746501	557592062	/nfs/dbraw/zinc/59/20/62/557592062.db2.gz	RFPNGLFEURUOTL-RVDMUPIBSA-N	0	0	404.538	4.074	50	10		HICARN
CCN1C(=O)/C(=C\c2ccccc2OCCOc2cccc(OC)c2)SC1=S	ZINC000005091137	557634612	/nfs/dbraw/zinc/63/46/12/557634612.db2.gz	KZANLUIWDVEOGN-CPNJWEJPSA-N	0	0	415.536	4.374	50	10		HICARN
COc1cc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)ccc1O	ZINC000009188916	557826436	/nfs/dbraw/zinc/82/64/36/557826436.db2.gz	WWFINDIZSSNZKB-QNGOZBTKSA-N	0	0	408.523	4.326	50	10		HICARN
CN1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)CC1	ZINC000020290235	558353872	/nfs/dbraw/zinc/35/38/72/558353872.db2.gz	LSWFKVZIBBUBLK-BOPFTXTBSA-N	0	0	422.337	4.471	50	10		HICARN
Cc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(C)n1-c1ccc(F)cc1	ZINC000013112938	558515513	/nfs/dbraw/zinc/51/55/13/558515513.db2.gz	CPAZZSHTWMXRIH-CMPZQBNXSA-N	0	0	400.494	4.331	50	10		HICARN
COc1ccc(N2CCCC2)c(NC(=O)c2ccccc2I)c1	ZINC000013568038	558541527	/nfs/dbraw/zinc/54/15/27/558541527.db2.gz	HSJLDVNFUYQGGY-UHFFFAOYSA-N	0	0	422.266	4.152	50	10		HICARN
COc1ccc(N2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)c(OC)c1	ZINC000013684855	558568954	/nfs/dbraw/zinc/56/89/54/558568954.db2.gz	DRTJSZGFYORWCC-GIJQJNRQSA-N	0	0	409.492	4.053	50	10		HICARN
Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1cc([N+](=O)[O-])ccc1C	ZINC000013805334	558595029	/nfs/dbraw/zinc/59/50/29/558595029.db2.gz	GVJTXBOTZGOKHE-ZAZHNTPTSA-N	0	0	421.482	4.478	50	10		HICARN
COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCc1ccccc1F	ZINC000013895592	558600279	/nfs/dbraw/zinc/60/02/79/558600279.db2.gz	HOTXPCJDTBWLRI-DALCUZTNSA-N	0	0	424.457	4.052	50	10		HICARN
Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/C(=N)N2N=C(C(C)C)SC2=NC1=O	ZINC000004508883	558622931	/nfs/dbraw/zinc/62/29/31/558622931.db2.gz	OOGOKBMDBADBAK-AJUKGGFZSA-N	0	0	412.906	4.109	50	10		HICARN
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2nc(C)cs2)C1=O	ZINC000027530484	558674138	/nfs/dbraw/zinc/67/41/38/558674138.db2.gz	FEUDSIZCBFGQTH-NVXXTVOZSA-N	0	0	415.565	4.238	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)C2=N)S1	ZINC000004811855	559069355	/nfs/dbraw/zinc/06/93/55/559069355.db2.gz	ZJZRODFZUUYSOD-GJXXPDGXSA-N	0	0	408.458	4.434	50	10		HICARN
CCSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=N)N12	ZINC000004825850	559154465	/nfs/dbraw/zinc/15/44/65/559154465.db2.gz	GWUGWVHOJOETLH-HJDDMPKESA-N	0	0	400.460	4.415	50	10		HICARN
CN(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)CCc2ccccc2)cc1	ZINC000014610817	559171059	/nfs/dbraw/zinc/17/10/59/559171059.db2.gz	NVRPIJBWCYWAJY-UHFFFAOYSA-N	0	0	415.497	4.489	50	10		HICARN
CSC1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C(=N)N12	ZINC000004905438	559199803	/nfs/dbraw/zinc/19/98/03/559199803.db2.gz	LWHPOKVPCFDERL-NQDRLLCNSA-N	0	0	413.503	4.173	50	10		HICARN
CC(=O)Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)c(OC(C)=O)c1	ZINC000004993972	559225363	/nfs/dbraw/zinc/22/53/63/559225363.db2.gz	QTIJADYEPIZHLR-PNLZDCPESA-N	0	0	408.410	4.272	50	10		HICARN
CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2F)N2CCc3ccccc32)cc1	ZINC000005098654	559244530	/nfs/dbraw/zinc/24/45/30/559244530.db2.gz	CWWBIFPZNMZRNE-XMMPIXPASA-N	0	0	403.501	4.426	50	10		HICARN
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000136606795	559277475	/nfs/dbraw/zinc/27/74/75/559277475.db2.gz	KKOPTGTXDAZBJH-PWRODBHTSA-N	0	0	420.852	4.097	50	10		HICARN
O=C(c1ccccc1)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S	ZINC000408720037	560554310	/nfs/dbraw/zinc/55/43/10/560554310.db2.gz	WEAALADITQLOCT-GXDHUFHOSA-N	0	0	404.310	4.491	50	10		HICARN
Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1Cl	ZINC000048988510	568444084	/nfs/dbraw/zinc/44/40/84/568444084.db2.gz	PRSRMUSSWSVHRY-UHFFFAOYSA-N	0	0	416.930	4.428	50	10		HICARN
O=C(C1=CN(c2ccc(F)c(Cl)c2)c2cc(F)ccc2S1(=O)=O)N1CCCC1	ZINC000048988652	568444164	/nfs/dbraw/zinc/44/41/64/568444164.db2.gz	SOGWMZSCILBXGD-UHFFFAOYSA-N	0	0	424.856	4.007	50	10		HICARN
Cc1cc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)ccc1F	ZINC000049003828	568446515	/nfs/dbraw/zinc/44/65/15/568446515.db2.gz	WFKBVZOSVUHLPY-UHFFFAOYSA-N	0	0	414.502	4.159	50	10		HICARN
CCOc1ccc(-c2ccc(/C=C3/C(=N)N4C(C)=CSC4=NC3=O)o2)c([N+](=O)[O-])c1	ZINC000049672614	568453057	/nfs/dbraw/zinc/45/30/57/568453057.db2.gz	FGRHXMYMNSAGMV-KURFGLPPSA-N	0	0	424.438	4.420	50	10		HICARN
CC1=CSC2=NC(=O)/C(=C\c3cccn3-c3nnc(-c4ccccc4)s3)C(=N)N12	ZINC000049652738	568453179	/nfs/dbraw/zinc/45/31/79/568453179.db2.gz	AIXXYXIZLBRFPL-ACXWOISZSA-N	0	0	418.507	4.163	50	10		HICARN
COc1cc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4O)=NN32)ccc1O	ZINC000020071031	568587709	/nfs/dbraw/zinc/58/77/09/568587709.db2.gz	NEOSSCDJYFVEOF-MHECFPHRSA-N	0	0	418.449	4.357	50	10		HICARN
O=C(NC1=N[C@H](c2ccccc2Cl)CC(=O)N1)c1ccc(Oc2ccccc2)cc1	ZINC000020530819	568626781	/nfs/dbraw/zinc/62/67/81/568626781.db2.gz	YCEVXBOWCQTIDO-FQEVSTJZSA-N	0	0	419.868	4.479	50	10		HICARN
O=C(c1ccc(Br)o1)N1N=C(c2ccccc2O)C[C@@H]1c1ccco1	ZINC000012420831	568720365	/nfs/dbraw/zinc/72/03/65/568720365.db2.gz	IRLVSOARZHFIQN-CYBMUJFWSA-N	0	0	401.216	4.332	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2ccccn2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000002660741	568799229	/nfs/dbraw/zinc/79/92/29/568799229.db2.gz	APUJQYPEKLJWAU-UHFFFAOYSA-N	0	0	400.381	4.130	50	10		HICARN
CCOc1cc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1O	ZINC000002702136	568801794	/nfs/dbraw/zinc/80/17/94/568801794.db2.gz	RKGAERVGMFSZSN-WOJGMQOQSA-N	0	0	414.508	4.155	50	10		HICARN
COc1ccc([C@@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)c(OC)c1	ZINC000001216698	568835472	/nfs/dbraw/zinc/83/54/72/568835472.db2.gz	RCLKJIVDBWUALW-HSZRJFAPSA-N	0	0	414.461	4.477	50	10		HICARN
COc1ccc(N2CC[C@H](CNC(=S)Nc3ccc(OC)c(Cl)c3)C2)cc1	ZINC000003051040	568851057	/nfs/dbraw/zinc/85/10/57/568851057.db2.gz	BFQHVCDYMPUMMM-CQSZACIVSA-N	0	0	405.951	4.170	50	10		HICARN
CN1C(=O)C(=Cc2ccccc2Oc2ccc(Cl)cc2Cl)C(=O)N(C)C1=O	ZINC000004050233	568880489	/nfs/dbraw/zinc/88/04/89/568880489.db2.gz	WMWKPNDEUGELOU-UHFFFAOYSA-N	0	0	405.237	4.220	50	10		HICARN
CCCn1c(=O)[nH]nc1S[C@H](C)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	ZINC000012649333	568885922	/nfs/dbraw/zinc/88/59/22/568885922.db2.gz	ITMJYUCQUQWGLM-CQSZACIVSA-N	0	0	418.950	4.406	50	10		HICARN
Cc1cc(C(=O)CN2C(=O)N[C@](C)(CC(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000003382088	568892661	/nfs/dbraw/zinc/89/26/61/568892661.db2.gz	BZIIBNIRDZQJTM-JOCHJYFZSA-N	0	0	415.921	4.287	50	10		HICARN
COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2Cc2ccco2)cc1	ZINC000001355655	568915834	/nfs/dbraw/zinc/91/58/34/568915834.db2.gz	IXYUDEXVWQUUFB-UHFFFAOYSA-N	0	0	424.482	4.227	50	10		HICARN
O=C1N=C(N2CCOCC2)S/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	ZINC000001414835	568933789	/nfs/dbraw/zinc/93/37/89/568933789.db2.gz	IXCQQSHYYMBWAV-FYJGNVAPSA-N	0	0	421.497	4.131	50	10		HICARN
CCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	ZINC000004076864	568938306	/nfs/dbraw/zinc/93/83/06/568938306.db2.gz	MBVVJVCTYPFSLS-VKAVYKQESA-N	0	0	407.557	4.410	50	10		HICARN
C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(Cl)s3)cc2F)C[C@@H](C)O1	ZINC000084713585	568956671	/nfs/dbraw/zinc/95/66/71/568956671.db2.gz	YOIFNIGGFUIFIM-CHWSQXEVSA-N	0	0	411.930	4.154	50	10		HICARN
COc1ccccc1[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2O)N1	ZINC000053363277	569027568	/nfs/dbraw/zinc/02/75/68/569027568.db2.gz	MCGSBSXAMIYDJG-YADARESESA-N	0	0	402.450	4.352	50	10		HICARN
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000006341609	569043650	/nfs/dbraw/zinc/04/36/50/569043650.db2.gz	VRKKHQQZEVPYRF-UHFFFAOYSA-N	0	0	406.781	4.276	50	10		HICARN
CC1CCN(C(=O)Cn2cc(/C=C3\c4ccccc4N(C)C3=O)c3ccccc32)CC1	ZINC000006348735	569044645	/nfs/dbraw/zinc/04/46/45/569044645.db2.gz	GSLYQLLSEBJNLR-PXLXIMEGSA-N	0	0	413.521	4.417	50	10		HICARN
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000013016213	569050832	/nfs/dbraw/zinc/05/08/32/569050832.db2.gz	QIXDWBBVRMSJIC-JWGURIENSA-N	0	0	418.474	4.260	50	10		HICARN
NC(=O)[C@@H]1CCCN(c2ccc(CNc3ncc(C(F)(F)F)cc3Cl)cc2)C1	ZINC000054124332	569059480	/nfs/dbraw/zinc/05/94/80/569059480.db2.gz	IENIQJCRZLBBFC-CYBMUJFWSA-N	0	0	412.843	4.068	50	10		HICARN
COC(=O)c1cn(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(C)n1	ZINC000089579956	569070713	/nfs/dbraw/zinc/07/07/13/569070713.db2.gz	YSCPGGVQANYCNA-UHFFFAOYSA-N	0	0	419.403	4.287	50	10		HICARN
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl	ZINC000002062089	569073521	/nfs/dbraw/zinc/07/35/21/569073521.db2.gz	NDIMZPKGSDRHEG-PXNMLYILSA-N	0	0	403.265	4.261	50	10		HICARN
COc1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)sc2cccc(F)c21	ZINC000064756317	569089924	/nfs/dbraw/zinc/08/99/24/569089924.db2.gz	FYNRVRATFGGDDZ-UHFFFAOYSA-N	0	0	400.475	4.020	50	10		HICARN
Cc1cc(C)c(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(C)c1	ZINC000006747948	569108647	/nfs/dbraw/zinc/10/86/47/569108647.db2.gz	XIRDBPGMEFCAKU-QHCPKHFHSA-N	0	0	410.558	4.264	50	10		HICARN
Cc1ccc(Oc2nccnc2SCC(=O)NCc2ccc(N(C)C)cc2)cc1	ZINC000065111041	569178797	/nfs/dbraw/zinc/17/87/97/569178797.db2.gz	OZAWAZSRLXGVJU-UHFFFAOYSA-N	0	0	408.527	4.052	50	10		HICARN
CCOC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@@H](c1ccccc1O)N2	ZINC000065297868	569219112	/nfs/dbraw/zinc/21/91/12/569219112.db2.gz	UDCMUCOXBZNAOI-NRFANRHFSA-N	0	0	407.514	4.173	50	10		HICARN
O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1c2nonc2ccc1Cl	ZINC000170617629	569247779	/nfs/dbraw/zinc/24/77/79/569247779.db2.gz	UTAZNDCTDJDXPZ-UHFFFAOYSA-N	0	0	409.858	4.434	50	10		HICARN
O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccccc1Cl	ZINC000002258445	569325019	/nfs/dbraw/zinc/32/50/19/569325019.db2.gz	LEHGOFUELVNOEG-SXGWCWSVSA-N	0	0	413.911	4.368	50	10		HICARN
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(CCOc2ccccc2)c2ccccc12	ZINC000027530966	569366420	/nfs/dbraw/zinc/36/64/20/569366420.db2.gz	FFRSEMVTJQRLSP-HAVVHWLPSA-N	0	0	423.472	4.182	50	10		HICARN
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(O)c1	ZINC000002303119	569372317	/nfs/dbraw/zinc/37/23/17/569372317.db2.gz	KHBANNCWVCAWBI-PTNGSMBKSA-N	0	0	404.538	4.074	50	10		HICARN
CC1=CC2=NC(=O)/C(=C/c3c(-c4ccc(Cl)cc4)nc4sccn34)C(=N)N2O1	ZINC000002437012	569399781	/nfs/dbraw/zinc/39/97/81/569399781.db2.gz	LQUVDIMWUBNQQC-CHLNCNNDSA-N	0	0	409.858	4.167	50	10		HICARN
O=C(NN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=S)c1ccccc1Cl	ZINC000008765872	571115606	/nfs/dbraw/zinc/11/56/06/571115606.db2.gz	MPPUGQVZKPHOEN-NTEUORMPSA-N	0	0	419.871	4.430	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2cccc(C)n2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000040051781	571145529	/nfs/dbraw/zinc/14/55/29/571145529.db2.gz	HBAIKVZQZHKEGC-UHFFFAOYSA-N	0	0	414.408	4.439	50	10		HICARN
COc1ccc2c(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)c[nH]c2c1	ZINC000009419237	571256655	/nfs/dbraw/zinc/25/66/55/571256655.db2.gz	UPUCNCJAAUSSRD-NGYBGAFCSA-N	0	0	410.476	4.311	50	10		HICARN
CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=S)N[C@@H]1c1ccc(N(C)C)cc1	ZINC000009422000	571257232	/nfs/dbraw/zinc/25/72/32/571257232.db2.gz	WMDRZFRRDNUZBR-JOCHJYFZSA-N	0	0	423.582	4.064	50	10		HICARN
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccc2c(c1)OCO2	ZINC000009466425	571261051	/nfs/dbraw/zinc/26/10/51/571261051.db2.gz	YMLQZEOHNDBDAE-UHFFFAOYSA-N	0	0	424.478	4.045	50	10		HICARN
Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000009792998	571285581	/nfs/dbraw/zinc/28/55/81/571285581.db2.gz	YOVREEZFYJEFJK-UHFFFAOYSA-N	0	0	423.450	4.441	50	10		HICARN
CN1c2ccccc2/C(=C/c2sc(N3CCOCC3)nc2-c2ccccc2)C1=O	ZINC000002645033	845008530	/nfs/dbraw/zinc/00/85/30/845008530.db2.gz	XKKPRYVGQQRJDB-SDXDJHTJSA-N	0	0	403.507	4.164	50	10		HICARN
O=C1NC(=S)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000016266793	846145535	/nfs/dbraw/zinc/14/55/35/846145535.db2.gz	RJRLRMRXQKDNQH-YBEGLDIGSA-N	0	0	423.406	4.115	50	10		HICARN
O=C1NC(=S)N(C2CCCCC2)C(=O)C1=Cc1cccn1-c1cccc([N+](=O)[O-])c1	ZINC000033630216	848137665	/nfs/dbraw/zinc/13/76/65/848137665.db2.gz	BJKQAARUIOUAPX-AQTBWJFISA-N	0	0	424.482	4.185	50	10		HICARN
COc1ccc(N2CCN(C(=O)/C=C\c3cc(C)n(Cc4ccco4)c3C)CC2)cc1	ZINC000097676136	852646590	/nfs/dbraw/zinc/64/65/90/852646590.db2.gz	NTCWOJQZPCOERQ-WDZFZDKYSA-N	0	0	419.525	4.117	50	10		HICARN
O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCCc2ccccc21	ZINC000001218097	132242746	/nfs/dbraw/zinc/24/27/46/132242746.db2.gz	ZTJISNLRZXMPAX-LGMDPLHJSA-N	0	0	414.577	4.319	50	10		HICARN
O=c1oc2c(cc(Cl)c3c2CN(c2ccc4c(c2)OCCO4)CO3)c2c1CCC2	ZINC000006658447	132312575	/nfs/dbraw/zinc/31/25/75/132312575.db2.gz	NFZROZOQXOSRLX-UHFFFAOYSA-N	0	0	411.841	4.063	50	10		HICARN
C[C@H]1CCCN(c2cc(N3CCOCC3)c3c4c2noc4-c2ccccc2C3=O)C1	ZINC000006737876	132314039	/nfs/dbraw/zinc/31/40/39/132314039.db2.gz	CONLTBVSNPGPPJ-HNNXBMFYSA-N	0	0	403.482	4.112	50	10		HICARN
CC(C)Nc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000006737943	132314140	/nfs/dbraw/zinc/31/41/40/132314140.db2.gz	CWQJJHYHBBITKU-UHFFFAOYSA-N	0	0	419.481	4.203	50	10		HICARN
C[C@@H]1CCCN(c2cc(N3CCN(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)C1	ZINC000006738008	132314363	/nfs/dbraw/zinc/31/43/63/132314363.db2.gz	OGLSAZIPMPTGIT-MRXNPFEDSA-N	0	0	416.525	4.027	50	10		HICARN
COc1ccc2cc(CNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)ccc2c1	ZINC000010262939	132345676	/nfs/dbraw/zinc/34/56/76/132345676.db2.gz	YWCIVZSKAWCWGB-UHFFFAOYSA-N	0	0	419.525	4.027	50	10		HICARN
CCOc1ccc2[nH]c3c(ncnc3N3CCN(c4ccc(OC)cc4)[C@@H](C)C3)c2c1	ZINC000013540577	132456284	/nfs/dbraw/zinc/45/62/84/132456284.db2.gz	VFEHZFXPRYEGCD-INIZCTEOSA-N	0	0	417.513	4.234	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3cc(-c4ccco4)nc4ccccc43)CC2)cc1	ZINC000027976528	132492313	/nfs/dbraw/zinc/49/23/13/132492313.db2.gz	HDYRRSSISFMPCE-UHFFFAOYSA-N	0	0	413.477	4.466	50	10		HICARN
CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=N)S1	ZINC000032109400	519558026	/nfs/dbraw/zinc/55/80/26/519558026.db2.gz	AJXJNUFHXNOOCL-UWRFPUSRSA-N	0	0	409.427	4.130	50	10		HICARN
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1cccc(C)c1	ZINC000032670928	520633718	/nfs/dbraw/zinc/63/37/18/520633718.db2.gz	HBWNPWVJMMMGAL-PDGQHHTCSA-N	0	0	413.520	4.444	50	10		HICARN
CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH2+]CCc1ccccc1OC	ZINC000020567727	521347723	/nfs/dbraw/zinc/34/77/23/521347723.db2.gz	HEWOGVJNMBDJAW-UHFFFAOYSA-N	0	0	401.890	4.445	50	10		HICARN
COc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2CC(C)C)cc1	ZINC000044085801	523151426	/nfs/dbraw/zinc/15/14/26/523151426.db2.gz	IJBOLNHSFANIOV-UHFFFAOYSA-N	0	0	402.545	4.402	50	10		HICARN
CNC(=O)CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1	ZINC000044086407	524075326	/nfs/dbraw/zinc/07/53/26/524075326.db2.gz	JQSQERGDHLJCPJ-UHFFFAOYSA-N	0	0	416.344	4.199	50	10		HICARN
Cc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccccc1C	ZINC000029716015	524106821	/nfs/dbraw/zinc/10/68/21/524106821.db2.gz	FLCHLQGLUCZGSG-UHFFFAOYSA-N	0	0	417.553	4.165	50	10		HICARN
C[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(N2CCC(C)CC2)cc1	ZINC000044854076	525210749	/nfs/dbraw/zinc/21/07/49/525210749.db2.gz	SWSRPYZPWXIPCL-NRFANRHFSA-N	0	0	421.585	4.246	50	10		HICARN
CCOc1ccccc1/C=C/C(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1	ZINC000003649893	535485623	/nfs/dbraw/zinc/48/56/23/535485623.db2.gz	KCOVJKIVBQICGV-DHZHZOJOSA-N	0	0	417.509	4.430	50	10		HICARN
COc1cc2ccnc(Cc3cc(OC)c(OC)cc3/N=N/N(C)C)c2cc1OC	ZINC000000704222	557063380	/nfs/dbraw/zinc/06/33/80/557063380.db2.gz	JKXDSDLQMLPPKS-OCOZRVBESA-N	0	0	410.474	4.420	50	10		HICARN
COc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c1	ZINC000001191285	557236425	/nfs/dbraw/zinc/23/64/25/557236425.db2.gz	PWEVVNMYXTYQNX-PDGQHHTCSA-N	0	0	412.536	4.234	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(OC)c1	ZINC000001302665	557254241	/nfs/dbraw/zinc/25/42/41/557254241.db2.gz	PCAITDPHPJBOOI-WQRHYEAKSA-N	0	0	400.525	4.176	50	10		HICARN
CCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2	ZINC000002497695	557352578	/nfs/dbraw/zinc/35/25/78/557352578.db2.gz	QEEAJAKIFDWHQZ-NRFANRHFSA-N	0	0	421.526	4.161	50	10		HICARN
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cc(C)ccn1	ZINC000003659461	557497079	/nfs/dbraw/zinc/49/70/79/557497079.db2.gz	BKADPAJSPRLNAG-UDWIEESQSA-N	0	0	404.445	4.030	50	10		HICARN
O=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)[C@@H]2CCCO2)c1)[C@H]1CCCO1	ZINC000004646877	557574951	/nfs/dbraw/zinc/57/49/51/557574951.db2.gz	GOOBZODYDNMMBG-ALJHXRILSA-N	0	0	408.458	4.337	50	10		HICARN
O=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)[C@H]2CCCO2)c1)[C@H]1CCCO1	ZINC000004646878	557575048	/nfs/dbraw/zinc/57/50/48/557575048.db2.gz	GOOBZODYDNMMBG-XDKAXSIESA-N	0	0	408.458	4.337	50	10		HICARN
CN1C(=O)/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)SC1=S	ZINC000004844922	557605433	/nfs/dbraw/zinc/60/54/33/557605433.db2.gz	FSNGDIWEAJXCOJ-VCHYOVAHSA-N	0	0	409.492	4.429	50	10		HICARN
COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1O	ZINC000009188675	557826244	/nfs/dbraw/zinc/82/62/44/557826244.db2.gz	QKYHGYZATNEYHQ-ZSAINHDTSA-N	0	0	401.509	4.372	50	10		HICARN
Cc1cc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)no1	ZINC000012032469	558311447	/nfs/dbraw/zinc/31/14/47/558311447.db2.gz	VKUAUUFVARHZAU-SDNWHVSQSA-N	0	0	421.569	4.445	50	10		HICARN
CCOc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)N(c3ccccc3)C2=S)cc1	ZINC000020176491	558343869	/nfs/dbraw/zinc/34/38/69/558343869.db2.gz	RHSROONROLHYKU-HMMYKYKNSA-N	0	0	418.474	4.427	50	10		HICARN
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1N1CCOCC1	ZINC000012414305	558401941	/nfs/dbraw/zinc/40/19/41/558401941.db2.gz	KIXBENCLTWYWTQ-WJDWOHSUSA-N	0	0	406.916	4.048	50	10		HICARN
CC(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc32)CC1	ZINC000010909861	558558466	/nfs/dbraw/zinc/55/84/66/558558466.db2.gz	UFSHJMBZGRAXRI-DEOSSOPVSA-N	0	0	402.494	4.010	50	10		HICARN
COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2ccc(O)cc2)C1=O	ZINC000013721648	558582350	/nfs/dbraw/zinc/58/23/50/558582350.db2.gz	KGMWEHMAYDFMFR-MHWRWJLKSA-N	0	0	410.476	4.066	50	10		HICARN
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000013750000	558589464	/nfs/dbraw/zinc/58/94/64/558589464.db2.gz	KKOPTGTXDAZBJH-NJDAHSKKSA-N	0	0	420.852	4.097	50	10		HICARN
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCCCC1	ZINC000013786066	558593320	/nfs/dbraw/zinc/59/33/20/558593320.db2.gz	KGZNZEXLOLGLCN-SSZFMOIBSA-N	0	0	408.976	4.334	50	10		HICARN
O=C1N=C(N2CCCCC2)S/C1=C1/c2ccccc2N(Cc2ccc(F)cc2)C1=O	ZINC000013800428	558594592	/nfs/dbraw/zinc/59/45/92/558594592.db2.gz	GGRGXKDYNHKAAM-VXPUYCOJSA-N	0	0	421.497	4.199	50	10		HICARN
CC[C@@H](C1=NN2C(=NC(=O)/C(=C/c3ccc(O)c(OC)c3)C2=N)S1)c1ccccc1	ZINC000013893116	558600112	/nfs/dbraw/zinc/60/01/12/558600112.db2.gz	PFILNDSLLHPFSJ-VNNHJIHPSA-N	0	0	420.494	4.214	50	10		HICARN
COC(=O)COc1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1	ZINC000015011103	558700558	/nfs/dbraw/zinc/70/05/58/558700558.db2.gz	UMHVDWKHBIGDLR-ATVHPVEESA-N	0	0	405.541	4.020	50	10		HICARN
Cc1ccc(N2CC(=O)N(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2=O)cc1C	ZINC000015412677	558738348	/nfs/dbraw/zinc/73/83/48/558738348.db2.gz	XFNHMIUVVZVJEU-RUZDIDTESA-N	0	0	413.521	4.491	50	10		HICARN
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2	ZINC000004172185	558780329	/nfs/dbraw/zinc/78/03/29/558780329.db2.gz	NLQGZVKXLTWART-DPLHUUCSSA-N	0	0	424.566	4.151	50	10		HICARN
CCN1c2ccccc2/C(=C\c2nc3ccccc3c(=O)n2Cc2ccccc2)C1=O	ZINC000034799604	558784223	/nfs/dbraw/zinc/78/42/23/558784223.db2.gz	QTEHRKVUMCVDDW-LTGZKZEYSA-N	0	0	407.473	4.352	50	10		HICARN
CCC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C	ZINC000040951471	558825691	/nfs/dbraw/zinc/82/56/91/558825691.db2.gz	ABACVOXFUHDKNZ-UHFFFAOYSA-N	0	0	402.903	4.346	50	10	in-vitro	HICARN
O=C(OCCNc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1	ZINC000004593326	558831239	/nfs/dbraw/zinc/83/12/39/558831239.db2.gz	DHLVKZNXFRNYFG-UHFFFAOYSA-N	0	0	405.837	4.384	50	10		HICARN
CCc1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2OC)cc1	ZINC000004679668	558890848	/nfs/dbraw/zinc/89/08/48/558890848.db2.gz	WBTQPYUTWQAEIA-UYRXBGFRSA-N	0	0	415.536	4.204	50	10		HICARN
C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCC(C)CC2)cc1	ZINC000072437594	558980903	/nfs/dbraw/zinc/98/09/03/558980903.db2.gz	SJUWNUGMXNMBCD-FQEVSTJZSA-N	0	0	407.558	4.251	50	10		HICARN
O=C(c1ccc(Br)s1)c1coc2ccc(O)c(CN3CCOCC3)c21	ZINC000033286056	559043732	/nfs/dbraw/zinc/04/37/32/559043732.db2.gz	YJQYUUFWSGCVOG-UHFFFAOYSA-N	0	0	422.300	4.026	50	10		HICARN
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=CNc2ccccc2)cc1	ZINC000100424595	559135119	/nfs/dbraw/zinc/13/51/19/559135119.db2.gz	YJAPLLFKEMNADH-RCCKNPSSSA-N	0	0	414.421	4.350	50	10		HICARN
CC(=O)Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c(OC(C)=O)c1	ZINC000230390034	559176523	/nfs/dbraw/zinc/17/65/23/559176523.db2.gz	QTIJADYEPIZHLR-HYFFOGBASA-N	0	0	408.410	4.272	50	10		HICARN
CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=N)S1	ZINC000004859788	559192770	/nfs/dbraw/zinc/19/27/70/559192770.db2.gz	XJRGICGOXAEZSS-PNZWKLPWSA-N	0	0	409.427	4.130	50	10		HICARN
O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	ZINC000004862921	559193192	/nfs/dbraw/zinc/19/31/92/559193192.db2.gz	XAADIVLSULYPSM-UHFFFAOYSA-N	0	0	406.781	4.276	50	10		HICARN
Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\C=C\c3ccccc3)C2=N)S1	ZINC000004872919	559194726	/nfs/dbraw/zinc/19/47/26/559194726.db2.gz	LVNSFMZRYSOESG-CBGIIELDSA-N	0	0	402.479	4.249	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccc(C)cc4)cc3)C(=N)N2O1	ZINC000005013653	559228204	/nfs/dbraw/zinc/22/82/04/559228204.db2.gz	QWNQWOLXHYXDQK-XOLKAKTPSA-N	0	0	417.465	4.293	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4OC)c3C)C2=N)S1	ZINC000033746021	559239645	/nfs/dbraw/zinc/23/96/45/559239645.db2.gz	XGVQUBLSDMQYIY-WLGQYLEDSA-N	0	0	407.499	4.132	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=N)S1	ZINC000005163461	559275508	/nfs/dbraw/zinc/27/55/08/559275508.db2.gz	COQYJCUMOIZNAQ-ZJNHSXOMSA-N	0	0	407.499	4.132	50	10		HICARN
COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c1C	ZINC000034254496	560593262	/nfs/dbraw/zinc/59/32/62/560593262.db2.gz	AATZKQKYKUZYJX-FIMHLPJISA-N	0	0	407.499	4.050	50	10		HICARN
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c2C)cc1Cl	ZINC000005516598	560604511	/nfs/dbraw/zinc/60/45/11/560604511.db2.gz	SPMJTJTVGVVVOV-WRMKFNBDSA-N	0	0	413.890	4.005	50	10		HICARN
CCN(CC)c1ccc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1	ZINC000097998206	560758808	/nfs/dbraw/zinc/75/88/08/560758808.db2.gz	DHSQTHWARFEDSF-LTGZKZEYSA-N	0	0	403.482	4.004	50	10		HICARN
COc1ccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC	ZINC000103868489	560844715	/nfs/dbraw/zinc/84/47/15/560844715.db2.gz	BBXKUTGYPYZEHR-POHAHGRESA-N	0	0	412.314	4.205	50	10		HICARN
COC(=O)c1c(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)sc2c1CC[C@H](C)C2	ZINC000044827079	560897427	/nfs/dbraw/zinc/89/74/27/560897427.db2.gz	OWTVTROZBMOCGL-VLURKWGBSA-N	0	0	409.511	4.378	50	10		HICARN
COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(Cc2cccc(C)c2)C1=O	ZINC000000639590	568456674	/nfs/dbraw/zinc/45/66/74/568456674.db2.gz	VZCGYXNQLOUKOB-STZFKDTASA-N	0	0	405.498	4.087	50	10		HICARN
CCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(OCC)c1	ZINC000020176133	568592636	/nfs/dbraw/zinc/59/26/36/568592636.db2.gz	PATKLQVDJAVBIY-PDGQHHTCSA-N	0	0	410.495	4.464	50	10		HICARN
COc1ccc(-n2c(C)cc(CNS(=O)(=O)c3ccccc3Cl)c2C)cc1	ZINC000021044909	568660160	/nfs/dbraw/zinc/66/01/60/568660160.db2.gz	PUEZMLXYBBMPID-UHFFFAOYSA-N	0	0	404.919	4.235	50	10		HICARN
O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(OC(F)F)cc1OC(F)F	ZINC000096399819	568749090	/nfs/dbraw/zinc/74/90/90/568749090.db2.gz	VREWWNHPTOQLHA-MDWZMJQESA-N	0	0	404.385	4.346	50	10		HICARN
O=C1N=C(Nc2ccccc2)SC1=Cc1cccc(I)c1	ZINC000210987457	568749943	/nfs/dbraw/zinc/74/99/43/568749943.db2.gz	QJLBDKQRTVEZHT-UVTDQMKNSA-N	0	0	406.248	4.374	50	10		HICARN
Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccc(C)cc1	ZINC000000939376	568752575	/nfs/dbraw/zinc/75/25/75/568752575.db2.gz	KZRQCPOPOTWMPO-UHFFFAOYSA-N	0	0	403.511	4.353	50	10		HICARN
C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)NC3=O)ccc2O1	ZINC000001096517	568769520	/nfs/dbraw/zinc/76/95/20/568769520.db2.gz	MVXDMRREHDVWQH-LPXFMOJISA-N	0	0	419.531	4.352	50	10		HICARN
CCOC(=O)c1sc2ncn3nc(-c4ccc(-n5cccc5)cc4)nc3c2c1C	ZINC000002792328	568810066	/nfs/dbraw/zinc/81/00/66/568810066.db2.gz	MCCBXNKNONHFFR-UHFFFAOYSA-N	0	0	403.467	4.282	50	10		HICARN
CN(C)c1ccc(CN(C)C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)cc1	ZINC000012558384	568856615	/nfs/dbraw/zinc/85/66/15/568856615.db2.gz	ZPQJOSUOZWXDTG-VWLOTQADSA-N	0	0	419.594	4.420	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1	ZINC000003382054	568857807	/nfs/dbraw/zinc/85/78/07/568857807.db2.gz	LWBQESDVWIXVBV-SFHVURJKSA-N	0	0	405.498	4.344	50	10		HICARN
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc(F)c1	ZINC000003652837	568922784	/nfs/dbraw/zinc/92/27/84/568922784.db2.gz	HRTUYWJRPXJXBE-SRZZPIQSSA-N	0	0	407.420	4.465	50	10		HICARN
Cc1ccc2[nH]c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)cc2c1	ZINC000038169239	568974185	/nfs/dbraw/zinc/97/41/85/568974185.db2.gz	IJDCCBHLWJDCHW-VCHYOVAHSA-N	0	0	410.495	4.377	50	10		HICARN
O=C(c1cc2ccccc2c(C[N@@H+]2CCC[C@H]2c2cccs2)c1[O-])N1CCOCC1	ZINC000008314779	568989810	/nfs/dbraw/zinc/98/98/10/568989810.db2.gz	QQCQWJQKVLTMTO-NRFANRHFSA-N	0	0	422.550	4.416	50	10		HICARN
Cc1cc(C(=O)OCc2nc(=O)c3c(C)c(C)sc3[nH]2)c(C)n1-c1ccccc1	ZINC000008425047	569001936	/nfs/dbraw/zinc/00/19/36/569001936.db2.gz	UFPKJWPUYFSSFY-UHFFFAOYSA-N	0	0	407.495	4.366	50	10		HICARN
Cc1ccc(NC(=O)CCN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000013016307	569050864	/nfs/dbraw/zinc/05/08/64/569050864.db2.gz	LPXZOERPKDWOOI-RGEXLXHISA-N	0	0	409.511	4.126	50	10		HICARN
Cc1c(NC2=NC(=O)C(=Cc3ccc(Cl)cc3)S2)c(=O)n(-c2ccccc2)n1C	ZINC000026842165	569057246	/nfs/dbraw/zinc/05/72/46/569057246.db2.gz	ACOCOIHFROURTI-SFQUDFHCSA-N	0	0	424.913	4.220	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Br)ccc2OC3(C)C)c1	ZINC000006721836	569099375	/nfs/dbraw/zinc/09/93/75/569099375.db2.gz	YZTOYAHPAUKPNZ-MRXNPFEDSA-N	0	0	403.276	4.443	50	10		HICARN
Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	ZINC000006747961	569108664	/nfs/dbraw/zinc/10/86/64/569108664.db2.gz	DNRLAUQAEHDHHS-OAQYLSRUSA-N	0	0	416.949	4.301	50	10		HICARN
O=c1oc2c(ccc([O-])c2C[NH2+]C2CCN(Cc3ccccc3)CC2)c2ccccc12	ZINC000006759710	569113277	/nfs/dbraw/zinc/11/32/77/569113277.db2.gz	HHKCGQNUROAIGC-UHFFFAOYSA-N	0	0	414.505	4.406	50	10		HICARN
CCOc1ccc(N(C)[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000006804207	569130717	/nfs/dbraw/zinc/13/07/17/569130717.db2.gz	FGOPNBYTPYPUTN-SFTDATJTSA-N	0	0	422.978	4.465	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2cccc(C)c2C)c(C)n1-c1ccc2c(c1)OCO2	ZINC000006831418	569147574	/nfs/dbraw/zinc/14/75/74/569147574.db2.gz	QZWCZLJYLSVNGJ-UHFFFAOYSA-N	0	0	405.450	4.479	50	10		HICARN
Cc1cc(C(=O)NCc2ccc(-n3cncn3)nc2)c(C)n1-c1ccc(C(C)C)cc1	ZINC000036395004	569168595	/nfs/dbraw/zinc/16/85/95/569168595.db2.gz	ILRDJBUDEIGMHU-UHFFFAOYSA-N	0	0	414.513	4.123	50	10		HICARN
CCC(=O)N1CCc2c1cccc2C(=O)NCc1ccc(N2CCC(C)CC2)cc1	ZINC000065209946	569196543	/nfs/dbraw/zinc/19/65/43/569196543.db2.gz	PQXQSQQQJNCMPL-UHFFFAOYSA-N	0	0	405.542	4.152	50	10		HICARN
COc1ccccc1CNC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C	ZINC000007423440	569237791	/nfs/dbraw/zinc/23/77/91/569237791.db2.gz	CLDVMSZLTSCYLR-UHFFFAOYSA-N	0	0	401.919	4.158	50	10		HICARN
COc1ccc(CCNC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1	ZINC000007423452	569237837	/nfs/dbraw/zinc/23/78/37/569237837.db2.gz	SGRPKOHFGJEGDW-UHFFFAOYSA-N	0	0	415.946	4.200	50	10		HICARN
COc1cc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccccn2)ccc1O	ZINC000007570814	569263435	/nfs/dbraw/zinc/26/34/35/569263435.db2.gz	WAEQKLDNPDDUKK-JPYJTQIMSA-N	0	0	403.438	4.047	50	10		HICARN
CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21	ZINC000089941741	569269305	/nfs/dbraw/zinc/26/93/05/569269305.db2.gz	WUDLVHHSAMZGLM-AUSIDOKSSA-N	0	0	420.534	4.063	50	10		HICARN
O=C1/C(=C/c2ccc3c(c2)OCO3)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	ZINC000252485429	569289143	/nfs/dbraw/zinc/28/91/43/569289143.db2.gz	GVNJFFBCCLWDFJ-XDHOZWIPSA-N	0	0	413.389	4.158	50	10		HICARN
COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C(C(=O)OC)=C1C	ZINC000002185479	569293585	/nfs/dbraw/zinc/29/35/85/569293585.db2.gz	CFYSVWQUDHPTDX-HMAPJEAMSA-N	0	0	422.525	4.030	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(Cl)c1	ZINC000001137215	569321897	/nfs/dbraw/zinc/32/18/97/569321897.db2.gz	CSRBRKDRRWZHMO-BOPFTXTBSA-N	0	0	413.857	4.234	50	10		HICARN
Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000013071192	569408557	/nfs/dbraw/zinc/40/85/57/569408557.db2.gz	VOKJYOLVBDKJDN-GYCJOSAFSA-N	0	0	407.514	4.086	50	10		HICARN
c1coc(Cn2c(-c3ccccc3)cnc2SCc2nnnn2-c2ccccc2)c1	ZINC000040030833	571140783	/nfs/dbraw/zinc/14/07/83/571140783.db2.gz	NADZPPIFGWHCES-UHFFFAOYSA-N	0	0	414.494	4.459	50	10		HICARN
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1ccc(=O)[nH]n1	ZINC000040150121	571198567	/nfs/dbraw/zinc/19/85/67/571198567.db2.gz	NBNKKSOCEAFUTE-MRXNPFEDSA-N	0	0	416.403	4.108	50	10		HICARN
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1	ZINC000009233009	571239798	/nfs/dbraw/zinc/23/97/98/571239798.db2.gz	LXQAMUJORHJJBF-CPNJWEJPSA-N	0	0	420.515	4.395	50	10		HICARN
O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=CNc1cccc(C(F)(F)F)c1	ZINC000009466109	571261056	/nfs/dbraw/zinc/26/10/56/571261056.db2.gz	FWMPVEKTBLLRSL-FOWTUZBSSA-N	0	0	423.460	4.135	50	10		HICARN
COc1ccc(Cl)cc1S(=O)(=O)NCc1cc(C)n(-c2ccc(F)cc2)c1C	ZINC000009527506	571266204	/nfs/dbraw/zinc/26/62/04/571266204.db2.gz	LTTRCIQJMUOGMJ-UHFFFAOYSA-N	0	0	422.909	4.374	50	10		HICARN
N=C1/C(=C/c2cccc(Br)c2)C(=O)N=C2SC(c3ccccc3)=NN21	ZINC000004678854	845065663	/nfs/dbraw/zinc/06/56/63/845065663.db2.gz	WLRDONYAMYPERZ-UKMRQWHXSA-N	0	0	411.284	4.117	50	10		HICARN
O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(C(=O)c2cccs2)CC1	ZINC000008170044	845484769	/nfs/dbraw/zinc/48/47/69/845484769.db2.gz	SGVOMJVCBYKHHQ-FMIVXFBMSA-N	0	0	423.582	4.126	50	10		HICARN
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C=Cc3cccs3)c2C)cc1	ZINC000014360640	845940599	/nfs/dbraw/zinc/94/05/99/845940599.db2.gz	NBXDDBJKEZILCF-ZHACJKMWSA-N	0	0	423.490	4.382	50	10		HICARN
CC[C@H](C1=NN2C(=NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=N)S1)c1ccccc1	ZINC000016267204	846145333	/nfs/dbraw/zinc/14/53/33/846145333.db2.gz	VEDKINURFJYOKL-OUFZWYCHSA-N	0	0	418.478	4.228	50	10		HICARN
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000033568003	848137043	/nfs/dbraw/zinc/13/70/43/848137043.db2.gz	GVJAUTPQFNDWSU-WJDWOHSUSA-N	0	0	408.401	4.268	50	10		HICARN
Cc1ccccc1NC1=NC(=O)C(=Cc2ccccc2OCC(=O)N2CCCC2)S1	ZINC000096663470	852553768	/nfs/dbraw/zinc/55/37/68/852553768.db2.gz	UDNBJKWHRIQHBD-ZHZULCJRSA-N	0	0	421.522	4.079	50	10		HICARN
Cc1ccc(NC2=NC(=O)C(=Cc3ccccc3OCC(=O)N3CCCC3)S2)cc1	ZINC000096663340	852553975	/nfs/dbraw/zinc/55/39/75/852553975.db2.gz	LTGZRBRHARJRHQ-ZHZULCJRSA-N	0	0	421.522	4.079	50	10		HICARN
Cc1cc(/C=C\C(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)n1-c1ccccc1	ZINC000096861671	852555806	/nfs/dbraw/zinc/55/58/06/852555806.db2.gz	QXRQJPXSSGMIMT-KHPPLWFESA-N	0	0	419.550	4.153	50	10		HICARN
CCCCCOc1ccc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1OC	ZINC000228949549	853890664	/nfs/dbraw/zinc/89/06/64/853890664.db2.gz	BKMJULWCKFAEEM-ALVQJFKWSA-N	0	0	418.559	4.344	50	10		HICARN
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(c3ccccc3O)CC2)c1	ZINC000010056096	132345082	/nfs/dbraw/zinc/34/50/82/132345082.db2.gz	BQSFNYLIHZHSHQ-UHFFFAOYSA-N	0	0	409.917	4.416	50	10		HICARN
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000010906852	132346679	/nfs/dbraw/zinc/34/66/79/132346679.db2.gz	WFLXHVHIIQVSMJ-OAHLLOKOSA-N	0	0	423.340	4.256	50	10		HICARN
Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1nccs1	ZINC000044085595	527017816	/nfs/dbraw/zinc/01/78/16/527017816.db2.gz	CZYCJNBEIGHICD-UHFFFAOYSA-N	0	0	409.334	4.037	50	10		HICARN
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1	ZINC000000663211	557044532	/nfs/dbraw/zinc/04/45/32/557044532.db2.gz	HKUKNIIBIMDXLD-UHFFFAOYSA-N	0	0	401.871	4.380	50	10		HICARN
CCN1C(=O)C(=Cc2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N(CC)C1=S	ZINC000000681211	557055897	/nfs/dbraw/zinc/05/58/97/557055897.db2.gz	NCOKSKAKAHLDRQ-UHFFFAOYSA-N	0	0	406.866	4.118	50	10		HICARN
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1Cc1ccccc1	ZINC000000981033	557130356	/nfs/dbraw/zinc/13/03/56/557130356.db2.gz	WOEGLWVNPRIRSO-LPYMAVHISA-N	0	0	403.457	4.385	50	10		HICARN
Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1	ZINC000001217311	557246578	/nfs/dbraw/zinc/24/65/78/557246578.db2.gz	XASVPRUBFRJVMG-LJQANCHMSA-N	0	0	414.962	4.146	50	10		HICARN
O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1	ZINC000002328832	557337754	/nfs/dbraw/zinc/33/77/54/557337754.db2.gz	JUADAACURKGNDM-AWEZNQCLSA-N	0	0	405.273	4.046	50	10		HICARN
CCCCc1ccc(NC(=O)c2cc(N)c3c(c2N)C(=O)c2ccccc2C3=O)cc1	ZINC000003832835	557499312	/nfs/dbraw/zinc/49/93/12/557499312.db2.gz	YKJIMEZEEQVOQR-UHFFFAOYSA-N	0	0	413.477	4.221	50	10		HICARN
Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1cc(C)ccn1	ZINC000004661124	557577868	/nfs/dbraw/zinc/57/78/68/557577868.db2.gz	STXXEHYLSPMGKP-FYJGNVAPSA-N	0	0	400.482	4.199	50	10	aggregator	HICARN
N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(C(F)(F)F)=NN21	ZINC000008453083	557791273	/nfs/dbraw/zinc/79/12/73/557791273.db2.gz	QIJJOYOTKLZCGU-HGYZZIEJSA-N	0	0	408.336	4.267	50	10		HICARN
COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)CC(C)C)CC2)cc1	ZINC000097546850	557824211	/nfs/dbraw/zinc/82/42/11/557824211.db2.gz	IBIGRZXDNZGNKD-WZONZLPQSA-N	0	0	415.603	4.171	50	10		HICARN
Cc1ccc(N2C(=O)/C(=C3/c4ccccc4N(C)C3=O)SC2=S)cc1Cl	ZINC000020395301	558359789	/nfs/dbraw/zinc/35/97/89/558359789.db2.gz	QSJFTKQVQGSVDN-FOCLMDBBSA-N	0	0	400.912	4.401	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	ZINC000015269195	558729973	/nfs/dbraw/zinc/72/99/73/558729973.db2.gz	SALSVBWDTWDABT-UHFFFAOYSA-N	0	0	400.482	4.144	50	10		HICARN
Cc1cccc(C)c1N1CC(=O)N(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)C1=O	ZINC000015413523	558738710	/nfs/dbraw/zinc/73/87/10/558738710.db2.gz	ICBPPFZDTITDQH-RUZDIDTESA-N	0	0	413.521	4.491	50	10		HICARN
O=C(Nc1cccc(Cl)c1)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	ZINC000004573365	558744671	/nfs/dbraw/zinc/74/46/71/558744671.db2.gz	XRMCJMDSRMGTTH-UHFFFAOYSA-N	0	0	406.781	4.276	50	10		HICARN
CCOC(=O)N1CCC2(CC1)N=C(c1ccc(F)cc1)C[C@H](c1ccccc1O)N2	ZINC000015830319	558755217	/nfs/dbraw/zinc/75/52/17/558755217.db2.gz	XOPPSXGXKCTKEZ-HXUWFJFHSA-N	0	0	411.477	4.004	50	10		HICARN
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1cc[n+]([O-])cc1	ZINC000046258889	558787451	/nfs/dbraw/zinc/78/74/51/558787451.db2.gz	AERXQSMAEUPWCY-LJQANCHMSA-N	0	0	415.415	4.245	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccccc1F	ZINC000004696482	558906156	/nfs/dbraw/zinc/90/61/56/558906156.db2.gz	CHTZCJYSUZXUQP-GDNBJRDFSA-N	0	0	401.821	4.365	50	10		HICARN
Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)c(Br)c1	ZINC000058163181	558906586	/nfs/dbraw/zinc/90/65/86/558906586.db2.gz	MTLLDCFKBDLRRL-CYBMUJFWSA-N	0	0	409.299	4.046	50	10		HICARN
Cc1sc2ncnc(SCC(=O)NCc3ccc4c(c3)CCCN4C)c2c1C	ZINC000058768702	558930094	/nfs/dbraw/zinc/93/00/94/558930094.db2.gz	KQQJEQMSRNHWBX-UHFFFAOYSA-N	0	0	412.584	4.099	50	10		HICARN
COc1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+](C)C)c3oc2C(F)(F)F)cc1	ZINC000019583359	558937894	/nfs/dbraw/zinc/93/78/94/558937894.db2.gz	XBZIXOMHNATNQK-UHFFFAOYSA-N	0	0	409.360	4.380	50	10		HICARN
N=C1/C(=C\c2ccc(Br)o2)C(=O)N=C2SC=C(c3ccccc3)N21	ZINC000033336080	559063672	/nfs/dbraw/zinc/06/36/72/559063672.db2.gz	PPYPWKWVGMKZLM-MKIIFUPGSA-N	0	0	400.257	4.346	50	10		HICARN
O=C1c2ccccc2N[C@@H](c2cccc(Br)c2O)N1Cc1cccnc1	ZINC000060791708	559067399	/nfs/dbraw/zinc/06/73/99/559067399.db2.gz	OYCLQTIAKQJOTP-LJQANCHMSA-N	0	0	410.271	4.316	50	10		HICARN
O=C1C(=CNCc2cccs2)C(C(F)(F)F)=NN1c1nc2ccccc2s1	ZINC000100408670	559134895	/nfs/dbraw/zinc/13/48/95/559134895.db2.gz	OFXMXAPLMYBVNU-PKNBQFBNSA-N	0	0	408.430	4.296	50	10		HICARN
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(C)cc1	ZINC000101032342	559142858	/nfs/dbraw/zinc/14/28/58/559142858.db2.gz	YZTZFSPANXCZHV-XSFVSMFZSA-N	0	0	420.494	4.257	50	10		HICARN
CC(NCc1ccco1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	ZINC000100095456	559146748	/nfs/dbraw/zinc/14/67/48/559146748.db2.gz	JZRCUXFUFIWVCD-UVTDQMKNSA-N	0	0	406.389	4.218	50	10		HICARN
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000100148297	559164561	/nfs/dbraw/zinc/16/45/61/559164561.db2.gz	QIXDWBBVRMSJIC-CJLVFECKSA-N	0	0	418.474	4.260	50	10		HICARN
CCOc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1	ZINC000004909344	559201325	/nfs/dbraw/zinc/20/13/25/559201325.db2.gz	VXKSCEHFQYOHRV-ACUDIFQKSA-N	0	0	407.499	4.151	50	10		HICARN
CSC1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=N)N12	ZINC000004909267	559201379	/nfs/dbraw/zinc/20/13/79/559201379.db2.gz	JSRYTRMTIANFEH-KWWXOIQGSA-N	0	0	401.904	4.070	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1	ZINC000005172463	559287857	/nfs/dbraw/zinc/28/78/57/559287857.db2.gz	PMMIRWRCCVCWSE-SXGWCWSVSA-N	0	0	402.453	4.018	50	10		HICARN
CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1	ZINC000005234201	560547986	/nfs/dbraw/zinc/54/79/86/560547986.db2.gz	UXJWHNZYNQPFEF-GHRIWEEISA-N	0	0	416.524	4.298	50	10		HICARN
Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	ZINC000002635521	560586587	/nfs/dbraw/zinc/58/65/87/560586587.db2.gz	SNQMVWWYIGWALB-UHFFFAOYSA-N	0	0	411.479	4.275	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4OC)c3C)C2=N)S1	ZINC000005488001	560597535	/nfs/dbraw/zinc/59/75/35/560597535.db2.gz	XGVQUBLSDMQYIY-AJKGDLJRSA-N	0	0	407.499	4.132	50	10		HICARN
CCOC(=O)N1CCC(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	ZINC000048361483	568441324	/nfs/dbraw/zinc/44/13/24/568441324.db2.gz	AVGVIOKKXBJYLV-UHFFFAOYSA-N	0	0	403.910	4.098	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccccc1OC	ZINC000000638389	568456756	/nfs/dbraw/zinc/45/67/56/568456756.db2.gz	GOFRWAHEJLLZBD-WJDWOHSUSA-N	0	0	413.857	4.234	50	10		HICARN
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc(Br)c1	ZINC000000657259	568459668	/nfs/dbraw/zinc/45/96/68/568459668.db2.gz	ONGSSVFVGAEEBW-ATVHPVEESA-N	0	0	404.304	4.454	50	10		HICARN
N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC=C(c3ccc(F)cc3)N21	ZINC000020332281	568599423	/nfs/dbraw/zinc/59/94/23/568599423.db2.gz	KBSTWIFWPIGJCR-LEJACGOASA-N	0	0	417.421	4.236	50	10		HICARN
O=C1NC(=S)S/C1=C/c1ccc(-c2ccc3c(c2)C(=O)c2ccccc2C3=O)o1	ZINC000021122232	568669820	/nfs/dbraw/zinc/66/98/20/568669820.db2.gz	VRVBZXJVFYVDLL-VCHYOVAHSA-N	0	0	417.467	4.211	50	10		HICARN
O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1Cl	ZINC000005785335	568733160	/nfs/dbraw/zinc/73/31/60/568733160.db2.gz	UUPOQNYRWYIRNN-CPNJWEJPSA-N	0	0	414.914	4.413	50	10		HICARN
CCN1C(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N(CC)C1=S	ZINC000001052830	568765288	/nfs/dbraw/zinc/76/52/88/568765288.db2.gz	CHJFNZYFWWVNQE-UHFFFAOYSA-N	0	0	422.428	4.344	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccs1	ZINC000005824310	568824208	/nfs/dbraw/zinc/82/42/08/568824208.db2.gz	ZGYXRLCPGOGNCJ-XNTDXEJSSA-N	0	0	404.285	4.388	50	10		HICARN
CN(C)c1ccc(CNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1	ZINC000012545926	568850431	/nfs/dbraw/zinc/85/04/31/568850431.db2.gz	JJCQJUWWGYLEGG-UHFFFAOYSA-N	0	0	415.946	4.300	50	10		HICARN
Cc1cc2c(cc1C)N1C(=NC(=O)/C(=C/c3coc4ccccc4c3=O)C1=N)S2	ZINC000003859103	568869001	/nfs/dbraw/zinc/86/90/01/568869001.db2.gz	RRIBZBOPJNNJRK-RLOMILPJSA-N	0	0	401.447	4.279	50	10		HICARN
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1	ZINC000003312073	568878436	/nfs/dbraw/zinc/87/84/36/568878436.db2.gz	QSCVPSNRNARFDB-KRWDZBQOSA-N	0	0	419.481	4.237	50	10		HICARN
O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)cc1	ZINC000001233970	568882066	/nfs/dbraw/zinc/88/20/66/568882066.db2.gz	CEOTYHVCDODKRV-WJDWOHSUSA-N	0	0	418.927	4.276	50	10		HICARN
O=C(NN1C(=O)/C(=C\c2ccccc2)SC1=S)c1csc2c1CCCC2	ZINC000001405183	568927911	/nfs/dbraw/zinc/92/79/11/568927911.db2.gz	LSKDODQRTBIGEN-MHWRWJLKSA-N	0	0	400.550	4.173	50	10		HICARN
CCc1ccccc1NC=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C(F)(F)F	ZINC000004181415	568949458	/nfs/dbraw/zinc/94/94/58/568949458.db2.gz	NQKMSAMOKOBJJM-PTNGSMBKSA-N	0	0	404.348	4.418	50	10		HICARN
COc1ccc(-n2c(C)cc(C(=O)CSc3nnc4n3CCCCC4)c2C)cc1	ZINC000006097442	569001355	/nfs/dbraw/zinc/00/13/55/569001355.db2.gz	UQAGMSZCKNSUQU-UHFFFAOYSA-N	0	0	410.543	4.396	50	10		HICARN
C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCC[C@H](C)C2)cc1	ZINC000225243481	569039861	/nfs/dbraw/zinc/03/98/61/569039861.db2.gz	ODQVKUHWZHROQU-PMACEKPBSA-N	0	0	407.558	4.251	50	10		HICARN
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(C(C)C)[nH]3)c2C)cc1	ZINC000006477125	569058725	/nfs/dbraw/zinc/05/87/25/569058725.db2.gz	JXDJLKYHBGQOHB-UHFFFAOYSA-N	0	0	412.515	4.097	50	10		HICARN
CCc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	ZINC000006620899	569074894	/nfs/dbraw/zinc/07/48/94/569074894.db2.gz	QVFUUVOROUHMMC-UHFFFAOYSA-N	0	0	405.450	4.425	50	10		HICARN
CCc1nc(-c2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cs1	ZINC000064677502	569081556	/nfs/dbraw/zinc/08/15/56/569081556.db2.gz	YPZOKFMKODAIGU-UHFFFAOYSA-N	0	0	407.539	4.344	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccncc2)c1	ZINC000006721808	569099351	/nfs/dbraw/zinc/09/93/51/569099351.db2.gz	IGHQPDUXYASWSO-AUSIDOKSSA-N	0	0	403.438	4.047	50	10		HICARN
Cc1cc(C(=O)NCc2nc(C3CC3)no2)c(C)n1-c1ccccc1Br	ZINC000065006686	569152974	/nfs/dbraw/zinc/15/29/74/569152974.db2.gz	FFQYQZQHVVOFAK-UHFFFAOYSA-N	0	0	415.291	4.047	50	10		HICARN
Cc1cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1F	ZINC000065096288	569176798	/nfs/dbraw/zinc/17/67/98/569176798.db2.gz	ODQUIVOYGLVWJG-UHFFFAOYSA-N	0	0	420.893	4.177	50	10		HICARN
Cc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1F	ZINC000065096286	569176804	/nfs/dbraw/zinc/17/68/04/569176804.db2.gz	HLSYDWUFMZTJCB-UHFFFAOYSA-N	0	0	420.893	4.177	50	10		HICARN
CCc1ccc(NC(=O)C2=C3CCCN3c3ccc(Cl)cc3S2(=O)=O)cc1	ZINC000065239788	569203463	/nfs/dbraw/zinc/20/34/63/569203463.db2.gz	JOECPTODZMJJJG-UHFFFAOYSA-N	0	0	402.903	4.140	50	10		HICARN
COc1cc(NC(=O)NCc2ccc(N3CCCCC3)cc2)ccc1N1CCCC1=O	ZINC000065359961	569225983	/nfs/dbraw/zinc/22/59/83/569225983.db2.gz	XZUSCVOSHKBSPG-UHFFFAOYSA-N	0	0	422.529	4.134	50	10		HICARN
CC(=O)Nc1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)c1	ZINC000007423318	569237861	/nfs/dbraw/zinc/23/78/61/569237861.db2.gz	KJQHINPPNAHLTK-UHFFFAOYSA-N	0	0	414.918	4.430	50	10		HICARN
Cc1nn(C)c(C)c1[C@H](NCc1cc(C)cc(Br)c1O)C(F)(F)F	ZINC000170619379	569248314	/nfs/dbraw/zinc/24/83/14/569248314.db2.gz	DXJKXQCMBSJVBH-HNNXBMFYSA-N	0	0	406.246	4.207	50	10		HICARN
COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)cc1OC	ZINC000013304505	569254714	/nfs/dbraw/zinc/25/47/14/569254714.db2.gz	JKHFLVGMDPPYPQ-SXGWCWSVSA-N	0	0	401.260	4.272	50	10		HICARN
NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1	ZINC000009668297	571278312	/nfs/dbraw/zinc/27/83/12/571278312.db2.gz	IMRHVQFFHSBBBU-XDHOZWIPSA-N	0	0	420.515	4.110	50	10		HICARN
CCn1c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)nnc1C1CC1	ZINC000009861744	571288772	/nfs/dbraw/zinc/28/87/72/571288772.db2.gz	HTGXJHFZKGPOMB-UHFFFAOYSA-N	0	0	424.526	4.287	50	10		HICARN
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000009962859	571292843	/nfs/dbraw/zinc/29/28/43/571292843.db2.gz	DTLWKEYWQNLTRR-UHFFFAOYSA-N	0	0	419.359	4.066	50	10		HICARN
O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCN(C(=O)c2cccs2)CC1	ZINC000096879406	852557153	/nfs/dbraw/zinc/55/71/53/852557153.db2.gz	SGVOMJVCBYKHHQ-XFXZXTDPSA-N	0	0	423.582	4.126	50	10		HICARN
CCOc1ccc(/C=C2/SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)cc1	ZINC000001471557	132246736	/nfs/dbraw/zinc/24/67/36/132246736.db2.gz	RIUJFZVGRYHFEF-LTGZKZEYSA-N	0	0	407.539	4.186	50	10		HICARN
CCN(CC)c1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1	ZINC000002315062	132252421	/nfs/dbraw/zinc/25/24/21/132252421.db2.gz	KAQFBMFZSYSZLO-RELWKKBWSA-N	0	0	420.582	4.325	50	10		HICARN
Cc1ccccc1N1C(=O)C(=CNC(C)(C)C)C(=O)N(c2ccccc2C)C1=S	ZINC000006174304	132309420	/nfs/dbraw/zinc/30/94/20/132309420.db2.gz	YDFDKINOSGIBJX-UHFFFAOYSA-N	0	0	407.539	4.240	50	10		HICARN
COc1cc(/C=C2/c3ccccc3C(=O)N(c3cccc(C)c3)C2=O)cc(O)c1O	ZINC000007062896	132322376	/nfs/dbraw/zinc/32/23/76/132322376.db2.gz	URJJJSNYZCERHU-ODLFYWEKSA-N	0	0	401.418	4.142	50	10		HICARN
COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)c(N2CCOCC2)cc1OC	ZINC000012324870	132358703	/nfs/dbraw/zinc/35/87/03/132358703.db2.gz	BZJYRVXOQVFOSW-UHFFFAOYSA-N	0	0	418.493	4.460	50	10		HICARN
CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)C2=N)S1	ZINC000033143533	519894771	/nfs/dbraw/zinc/89/47/71/519894771.db2.gz	HUQWFUMHJMGGNG-AXPJIBDUSA-N	0	0	422.466	4.152	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(Cl)c3)C(=N)N2O1	ZINC000020236730	520854252	/nfs/dbraw/zinc/85/42/52/520854252.db2.gz	PJGKHXQVAGAUQG-GYJAIJNQSA-N	0	0	413.842	4.071	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3cccn3CCCOc3ccccc3Cl)C(=N)N2O1	ZINC000032969701	520855089	/nfs/dbraw/zinc/85/50/89/520855089.db2.gz	RXZBSUHQMYTIQN-RVZGYLCTSA-N	0	0	410.861	4.061	50	10		HICARN
COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCc1ccccc1	ZINC000020236091	521945196	/nfs/dbraw/zinc/94/51/96/521945196.db2.gz	TYMOQINJUIDESX-WLYGJILCSA-N	0	0	423.856	4.378	50	10		HICARN
COC(=O)Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(Cl)c1	ZINC000044085944	523389692	/nfs/dbraw/zinc/38/96/92/523389692.db2.gz	LNOYGESJFWNPOI-UHFFFAOYSA-N	0	0	415.902	4.107	50	10		HICARN
COc1ccc(N2CCN(c3nnc(SCc4cccc(F)c4)s3)CC2)cc1	ZINC000023139999	536703194	/nfs/dbraw/zinc/70/31/94/536703194.db2.gz	JJQSMWDQAIDRFY-UHFFFAOYSA-N	0	0	416.547	4.305	50	10		HICARN
CN1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N(C)C1=S	ZINC000000661072	557043231	/nfs/dbraw/zinc/04/32/31/557043231.db2.gz	ILDJAFJXRKVLAA-UHFFFAOYSA-N	0	0	408.957	4.151	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccccc1Cl	ZINC000001013925	557142556	/nfs/dbraw/zinc/14/25/56/557142556.db2.gz	VOTYEXGSMVJVPC-YBEGLDIGSA-N	0	0	419.911	4.399	50	10		HICARN
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)S1	ZINC000001112350	557184483	/nfs/dbraw/zinc/18/44/83/557184483.db2.gz	UBITZWWSTJILOX-MFOYZWKCSA-N	0	0	404.850	4.165	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c(OC)c1OC	ZINC000001159203	557217002	/nfs/dbraw/zinc/21/70/02/557217002.db2.gz	LZXSDRPNQXBLDE-GDNBJRDFSA-N	0	0	405.472	4.257	50	10		HICARN
Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)cc1Cl	ZINC000001192100	557236753	/nfs/dbraw/zinc/23/67/53/557236753.db2.gz	BAIBRLINRHPWAN-LJQANCHMSA-N	0	0	414.962	4.146	50	10		HICARN
Cc1csc(NC(=O)CN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)n1	ZINC000001213341	557244585	/nfs/dbraw/zinc/24/45/85/557244585.db2.gz	DRTAIJGTKDJXQP-NVNXTCNLSA-N	0	0	417.581	4.415	50	10		HICARN
CCOc1c(Br)cc(C=C2SC(=S)NC2=O)cc1Br	ZINC000002119567	557315944	/nfs/dbraw/zinc/31/59/44/557315944.db2.gz	MSZVKVUBJUMXSS-UITAMQMPSA-N	0	0	423.151	4.099	50	10		HICARN
COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O	ZINC000002144250	557318745	/nfs/dbraw/zinc/31/87/45/557318745.db2.gz	RFLFAVHVJACUDQ-CPNJWEJPSA-N	0	0	400.500	4.176	50	10		HICARN
Cc1sc(N=CC2C(=O)OC(C)(C)OC2=O)nc1-c1ccc(Br)cc1	ZINC000002543495	557355702	/nfs/dbraw/zinc/35/57/02/557355702.db2.gz	MFVRKGKCTXWGSE-UHFFFAOYSA-N	0	0	423.288	4.013	50	10		HICARN
Nc1ncnc(Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)c1[N+](=O)[O-]	ZINC000004059587	557508121	/nfs/dbraw/zinc/50/81/21/557508121.db2.gz	RKIZDFQFXGHTLZ-UHFFFAOYSA-N	0	0	404.213	4.248	50	10		HICARN
Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)c1	ZINC000004062687	557508897	/nfs/dbraw/zinc/50/88/97/557508897.db2.gz	NMOBFGQRFZOETM-UHFFFAOYSA-N	0	0	405.475	4.188	50	10		HICARN
O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccccc1O	ZINC000005101233	557635533	/nfs/dbraw/zinc/63/55/33/557635533.db2.gz	MZNBPYUCXSWVOO-SFQUDFHCSA-N	0	0	416.499	4.151	50	10		HICARN
CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)S2)CC1	ZINC000002312483	557692019	/nfs/dbraw/zinc/69/20/19/557692019.db2.gz	ZQUUUIWNRFTDBO-JXAWBTAJSA-N	0	0	400.544	4.230	50	10		HICARN
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccccc2Br)o1	ZINC000002690830	557742051	/nfs/dbraw/zinc/74/20/51/557742051.db2.gz	KEGCRBWGOSSVSW-LFIBNONCSA-N	0	0	419.300	4.012	50	10		HICARN
COc1cccc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c1OC	ZINC000002702084	557742709	/nfs/dbraw/zinc/74/27/09/557742709.db2.gz	BLXSJGAYDJJDFH-BOPFTXTBSA-N	0	0	414.508	4.068	50	10		HICARN
COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)cc(OC)c1OC(C)=O	ZINC000013042131	558507921	/nfs/dbraw/zinc/50/79/21/558507921.db2.gz	OSVSPYNHABUZPZ-WQRHYEAKSA-N	0	0	412.467	4.020	50	10		HICARN
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1	ZINC000013482395	558534443	/nfs/dbraw/zinc/53/44/43/558534443.db2.gz	HDKLDDWHIQFXHF-QINSGFPZSA-N	0	0	417.581	4.326	50	10	aggregator	HICARN
Cc1c(N2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C	ZINC000013483053	558534579	/nfs/dbraw/zinc/53/45/79/558534579.db2.gz	RALQROGOXLZPPK-AQTBWJFISA-N	0	0	421.547	4.199	50	10		HICARN
COc1ccc2occ(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)c2c1	ZINC000013540758	558537523	/nfs/dbraw/zinc/53/75/23/558537523.db2.gz	SUGMWXNUBZOBAR-NVMNQCDNSA-N	0	0	409.488	4.203	50	10		HICARN
O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1C[C@H]1CCCO1	ZINC000013590959	558545926	/nfs/dbraw/zinc/54/59/26/558545926.db2.gz	IBUSPESPUDCXKV-ZXMBATIKSA-N	0	0	416.480	4.235	50	10		HICARN
COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(OC)c1OC	ZINC000013785564	558593171	/nfs/dbraw/zinc/59/31/71/558593171.db2.gz	MTSZQFMAXUPQRE-IOBVOHSESA-N	0	0	421.478	4.017	50	10		HICARN
CC(C)c1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nccs3)C2=O)cc1	ZINC000013800635	558594528	/nfs/dbraw/zinc/59/45/28/558594528.db2.gz	WOVHXVJFQLSWNF-ZROIWOOFSA-N	0	0	403.554	4.106	50	10		HICARN
CSc1cccc(-n2c(C)cc(C(=O)Cn3cnc4ccsc4c3=O)c2C)c1	ZINC000026018819	558653577	/nfs/dbraw/zinc/65/35/77/558653577.db2.gz	AVLUQPHBEOZGJE-UHFFFAOYSA-N	0	0	409.536	4.470	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1Br	ZINC000015011047	558700322	/nfs/dbraw/zinc/70/03/22/558700322.db2.gz	VJWMYMAKPMACDK-ZSOIEALJSA-N	0	0	410.314	4.452	50	10		HICARN
CCOC(=O)c1oc2c(cccc2C)c1CN1CCN(c2ccc(OC)cc2)CC1	ZINC000015017905	558702740	/nfs/dbraw/zinc/70/27/40/558702740.db2.gz	BOLBOSDOSLLLLX-UHFFFAOYSA-N	0	0	408.498	4.249	50	10		HICARN
CCN1C(=O)/C(=C/C=C2/Sc3ccc(NC(C)=O)cc3N2CC)SC1=S	ZINC000003082385	558747632	/nfs/dbraw/zinc/74/76/32/558747632.db2.gz	YEAYFEHQHCNKQO-IZKYPSLPSA-N	0	0	405.570	4.183	50	10		HICARN
CCN(CC)c1ccc(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)cc1	ZINC000016735420	558802686	/nfs/dbraw/zinc/80/26/86/558802686.db2.gz	XEYJJGISZNFFIT-LRFXARPXSA-N	0	0	416.550	4.024	50	10		HICARN
Cc1cccc(NC(=O)CSCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1	ZINC000058129834	558900399	/nfs/dbraw/zinc/90/03/99/558900399.db2.gz	ZJZDFYIOCQYEQE-UHFFFAOYSA-N	0	0	413.587	4.170	50	10		HICARN
CCCC(=O)NC[C@@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1	ZINC000058224972	558913442	/nfs/dbraw/zinc/91/34/42/558913442.db2.gz	KORYLJHAQQDXSL-NRFANRHFSA-N	0	0	409.574	4.214	50	10		HICARN
CN(C)c1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1	ZINC000033313168	559055167	/nfs/dbraw/zinc/05/51/67/559055167.db2.gz	KGUGNMDWVCTHAA-UHFFFAOYSA-N	0	0	415.541	4.130	50	10		HICARN
Cc1ccc(NC=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C(F)(F)F)cc1C	ZINC000091270662	559070739	/nfs/dbraw/zinc/07/07/39/559070739.db2.gz	DTBMATZVHBAOBQ-MHWRWJLKSA-N	0	0	404.348	4.473	50	10		HICARN
COc1cccc(C(C2C(=O)c3ccccc3C2=O)C2C(=O)c3ccccc3C2=O)c1	ZINC000100291399	559133730	/nfs/dbraw/zinc/13/37/30/559133730.db2.gz	TVPVKYCARBDGOV-UHFFFAOYSA-N	0	0	410.425	4.170	50	10		HICARN
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/C=C/c1ccco1	ZINC000101726782	559147826	/nfs/dbraw/zinc/14/78/26/559147826.db2.gz	YFXYARLFQWEJRM-NKJMRRHMSA-N	0	0	404.207	4.247	50	10		HICARN
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NC2CC2)cc1	ZINC000103521890	559156198	/nfs/dbraw/zinc/15/61/98/559156198.db2.gz	CVZUBANSZCVRHA-CPNJWEJPSA-N	0	0	404.495	4.082	50	10		HICARN
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OS(=O)(=O)c2ccccc2)c1	ZINC000104163966	559158678	/nfs/dbraw/zinc/15/86/78/559158678.db2.gz	VXSHHTYSXLGVOO-CJLVFECKSA-N	0	0	418.474	4.260	50	10		HICARN
COc1ccc(-n2c(C)cc(C(=O)CSc3nnc4nc(C)cc(C)n43)c2C)cc1	ZINC000004843794	559177514	/nfs/dbraw/zinc/17/75/14/559177514.db2.gz	IYQKVZBTWWGRHZ-UHFFFAOYSA-N	0	0	421.526	4.132	50	10		HICARN
CCOc1ccc(-c2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)o2)c([N+](=O)[O-])c1	ZINC000005025823	559230187	/nfs/dbraw/zinc/23/01/87/559230187.db2.gz	SCKNDPNTHOIQCS-FMVWKBIMSA-N	0	0	410.411	4.030	50	10		HICARN
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N2CCc3ccccc32)cc1	ZINC000005098660	559244499	/nfs/dbraw/zinc/24/44/99/559244499.db2.gz	PZZLQGUKDKGZMU-XMMPIXPASA-N	0	0	403.501	4.426	50	10		HICARN
CCN1C(=O)/C(=C\c2cccc(OCCOc3cccc(OC)c3)c2)SC1=S	ZINC000005102974	559246744	/nfs/dbraw/zinc/24/67/44/559246744.db2.gz	UEKFXRXILASENG-CPNJWEJPSA-N	0	0	415.536	4.374	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(OC)c4)c3C)C2=N)S1	ZINC000005163599	559275505	/nfs/dbraw/zinc/27/55/05/559275505.db2.gz	CXDMXYUQMZAFTO-YNQUSLBMSA-N	0	0	407.499	4.132	50	10		HICARN
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-]	ZINC000101114489	560786896	/nfs/dbraw/zinc/78/68/96/560786896.db2.gz	WRCLDXAKDDFFGL-GXDHUFHOSA-N	0	0	401.220	4.076	50	10		HICARN
COc1cc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccn2)ccc1O	ZINC000102907492	560835148	/nfs/dbraw/zinc/83/51/48/560835148.db2.gz	WAEQKLDNPDDUKK-FDDCHVKYSA-N	0	0	403.438	4.047	50	10		HICARN
O=C(C1=CN(c2ccccc2F)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1	ZINC000049003927	568446599	/nfs/dbraw/zinc/44/65/99/568446599.db2.gz	KCDNCUCDLKONMC-UHFFFAOYSA-N	0	0	420.893	4.258	50	10		HICARN
COc1cccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C)c3)C2=O)c1	ZINC000005214260	568455396	/nfs/dbraw/zinc/45/53/96/568455396.db2.gz	CZLHTPVVUGGDEV-QGOAFFKASA-N	0	0	412.536	4.234	50	10		HICARN
Cc1cccc(Sc2nccnc2SCC(=O)NCc2ccc(N(C)C)cc2)c1	ZINC000033289091	568513604	/nfs/dbraw/zinc/51/36/04/568513604.db2.gz	FOJHVXSCBZEDEY-UHFFFAOYSA-N	0	0	424.595	4.411	50	10		HICARN
Cc1cc(C(=O)Nc2ccnc3ccnn32)c(C)n1-c1cccc(Br)c1	ZINC000095398198	568604596	/nfs/dbraw/zinc/60/45/96/568604596.db2.gz	PEKHLTWFCXUTLX-UHFFFAOYSA-N	0	0	410.275	4.152	50	10		HICARN
COc1ccc(N2CCN(C(=O)C[C@@H](c3ccccc3C)n3cccc3)CC2)cc1	ZINC000020998778	568657310	/nfs/dbraw/zinc/65/73/10/568657310.db2.gz	TUWDIQZBXFDQOQ-DEOSSOPVSA-N	0	0	403.526	4.133	50	10		HICARN
COc1ccc(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1OC	ZINC000028273188	568783707	/nfs/dbraw/zinc/78/37/07/568783707.db2.gz	IAGWNRKJGJMGMB-UHFFFAOYSA-N	0	0	408.454	4.135	50	10		HICARN
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCCCCC3)C2=O)cc1	ZINC000001186169	568822448	/nfs/dbraw/zinc/82/24/48/568822448.db2.gz	BBWRBJAOJXBZAG-OBGWFSINSA-N	0	0	418.584	4.079	50	10		HICARN
CCOc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1	ZINC000001186564	568822488	/nfs/dbraw/zinc/82/24/88/568822488.db2.gz	XGOMCFCQVYXSQM-PDGQHHTCSA-N	0	0	412.536	4.234	50	10		HICARN
Cc1cc(-c2csc(NC(=O)c3ccn(C)c(=O)c3)n2)c(C)n1-c1ccc(C)cc1	ZINC000012522931	568842364	/nfs/dbraw/zinc/84/23/64/568842364.db2.gz	ODQSZGXVYUZVRT-UHFFFAOYSA-N	0	0	418.522	4.477	50	10		HICARN
Cc1ccccc1Nc1nc(N)nc(CSc2ncc(-c3ccccc3)n2C)n1	ZINC000012548067	568851313	/nfs/dbraw/zinc/85/13/13/568851313.db2.gz	YUZFNXUXHHRITM-UHFFFAOYSA-N	0	0	403.515	4.199	50	10		HICARN
Cc1cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c(C)n1-c1ccccc1C	ZINC000012553127	568854587	/nfs/dbraw/zinc/85/45/87/568854587.db2.gz	WZULWANPJKUDBY-UHFFFAOYSA-N	0	0	407.558	4.267	50	10		HICARN
CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CC(=O)OC13CCCCC3)CCCCC2	ZINC000003619073	568864180	/nfs/dbraw/zinc/86/41/80/568864180.db2.gz	OYPJVRNSQJPEPE-HNNXBMFYSA-N	0	0	419.543	4.398	50	10		HICARN
Cc1cc(C(=O)COc2ncnc3sccc32)c(C)n1-c1ccc2c(c1)OCO2	ZINC000003450400	568905524	/nfs/dbraw/zinc/90/55/24/568905524.db2.gz	QDBWJYSTYDQLAM-UHFFFAOYSA-N	0	0	407.451	4.089	50	10		HICARN
Cc1ccc(NC(=O)NCc2ccccc2O)cc1NC(=O)NCc1ccccc1O	ZINC000058264155	568907526	/nfs/dbraw/zinc/90/75/26/568907526.db2.gz	MWYIPHQDSDAIMN-UHFFFAOYSA-N	0	0	420.469	4.050	50	10		HICARN
Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000003493752	568909528	/nfs/dbraw/zinc/90/95/28/568909528.db2.gz	XMGKUPJZMBXNSI-UHFFFAOYSA-N	0	0	417.417	4.191	50	10		HICARN
COc1ccc(OC)c(-c2cc3ccc([O-])c(C[N@@H+]4CCC[C@@H](C)C4)c3oc2=O)c1	ZINC000004084797	568940003	/nfs/dbraw/zinc/94/00/03/568940003.db2.gz	LKFROINAGXQJQQ-OAHLLOKOSA-N	0	0	409.482	4.415	50	10	biogenic	HICARN
Nc1c(C(=O)c2ccccc2)cc(Br)c2c1C(=O)c1ccccc1C2=O	ZINC000003878831	569009601	/nfs/dbraw/zinc/00/96/01/569009601.db2.gz	VJFLKWCQBYAZJM-UHFFFAOYSA-N	0	0	406.235	4.038	50	10		HICARN
COc1cccc(Cn2ncc3ccc(C(=O)NCc4ccc(N(C)C)cc4)cc32)c1	ZINC000035560013	569044890	/nfs/dbraw/zinc/04/48/90/569044890.db2.gz	HKASGRHRSHZSFQ-UHFFFAOYSA-N	0	0	414.509	4.089	50	10		HICARN
O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccccc1	ZINC000006460397	569054187	/nfs/dbraw/zinc/05/41/87/569054187.db2.gz	XCNBWPKJWZOSGO-UHFFFAOYSA-N	0	0	404.805	4.155	50	10		HICARN
CC1(C)[C@H](C(=O)Oc2ccc(C=C3SC(N)=NC3=O)cc2)[C@H]1C=C(Cl)Cl	ZINC000138365452	569093972	/nfs/dbraw/zinc/09/39/72/569093972.db2.gz	YUJONWSYHZFKCY-VCEFJNLBSA-N	0	0	411.310	4.112	50	10		HICARN
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(Br)cc2)cc1	ZINC000006747923	569108639	/nfs/dbraw/zinc/10/86/39/569108639.db2.gz	DNJJZKXNABTVLM-HXUWFJFHSA-N	0	0	417.347	4.337	50	10		HICARN
CCc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccc(Oc4ccccc4)cc3)=N2)cc1	ZINC000006817834	569138680	/nfs/dbraw/zinc/13/86/80/569138680.db2.gz	PPUYZPXPKCNYKL-JOCHJYFZSA-N	0	0	413.477	4.388	50	10		HICARN
CCC[C@H](C)NC(=O)COC(=O)c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	ZINC000007141421	569226213	/nfs/dbraw/zinc/22/62/13/569226213.db2.gz	SBSOMELWAGSYQT-ZDUSSCGKSA-N	0	0	406.910	4.218	50	10		HICARN
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCCCCCC1	ZINC000007242458	569229745	/nfs/dbraw/zinc/22/97/45/569229745.db2.gz	FGNWAIXMVAQCNF-UHFFFAOYSA-N	0	0	415.559	4.226	50	10		HICARN
COc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)c(OC)c1	ZINC000007423293	569237816	/nfs/dbraw/zinc/23/78/16/569237816.db2.gz	BYXOLWYIFPADTE-UHFFFAOYSA-N	0	0	417.918	4.489	50	10		HICARN
Cc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccc(N(C)C)cc3)o2)cc1C	ZINC000007773539	569308470	/nfs/dbraw/zinc/30/84/70/569308470.db2.gz	IAJOWBKONUTUBJ-UHFFFAOYSA-N	0	0	410.543	4.170	50	10		HICARN
COc1ccc(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)cc1OC	ZINC000019324032	569419650	/nfs/dbraw/zinc/41/96/50/569419650.db2.gz	PPBIUWQNWAWBFO-UHFFFAOYSA-N	0	0	420.509	4.132	50	10		HICARN
CCOC(=O)c1sc(N2N=C(C)/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)nc1C	ZINC000008815822	571121363	/nfs/dbraw/zinc/12/13/63/571121363.db2.gz	XCJVPHFJKJNQJI-OQUKJUSVSA-N	0	0	424.526	4.057	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(O)cc2)c1	ZINC000245298119	571223629	/nfs/dbraw/zinc/22/36/29/571223629.db2.gz	XCKZNQNVQYNNDU-RDPSFJRHSA-N	0	0	418.449	4.357	50	10		HICARN
CCOc1ccc(N(C)[C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000245380645	571227129	/nfs/dbraw/zinc/22/71/29/571227129.db2.gz	FGOPNBYTPYPUTN-RTWAWAEBSA-N	0	0	422.978	4.465	50	10		HICARN
CSC1=NN2C(=NC(=O)/C(=C/c3c(-c4ccccc4)nc4sccn34)C2=N)S1	ZINC000009242720	571240927	/nfs/dbraw/zinc/24/09/27/571240927.db2.gz	ULXJQAPWGCNAJW-ZDAMGBFBSA-N	0	0	424.536	4.002	50	10		HICARN
N=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SN=C(SCc3ccccc3)N21	ZINC000009353063	571250624	/nfs/dbraw/zinc/25/06/24/571250624.db2.gz	DBEFVAHEUXSDMD-YERBQUFUSA-N	0	0	423.479	4.105	50	10		HICARN
COc1cc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccncc2)ccc1O	ZINC000010216079	571297256	/nfs/dbraw/zinc/29/72/56/571297256.db2.gz	ZIOPSYKVLAHXKB-WZONZLPQSA-N	0	0	403.438	4.047	50	10		HICARN
CC[C@@H](C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S	ZINC000004846207	845068927	/nfs/dbraw/zinc/06/89/27/845068927.db2.gz	PXZUTVXRTQBYKI-OTWJJXBCSA-N	0	0	415.946	4.173	50	10		HICARN
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C=Cc3cccs3)c2C)cc1	ZINC000096464900	852548919	/nfs/dbraw/zinc/54/89/19/852548919.db2.gz	NBXDDBJKEZILCF-KHPPLWFESA-N	0	0	423.490	4.382	50	10		HICARN
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2cccc(Br)c2)o1	ZINC000102813495	852666463	/nfs/dbraw/zinc/66/64/63/852666463.db2.gz	GBRVCXASPZFCGZ-WJDWOHSUSA-N	0	0	419.300	4.012	50	10		HICARN
CCOC(=O)C=CC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	ZINC000103074420	852667226	/nfs/dbraw/zinc/66/72/26/852667226.db2.gz	VYTAMULGSIQIIE-FPLPWBNLSA-N	0	0	424.280	4.246	50	10		HICARN
Cc1ccc(C)n1-c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccs2)CC1	ZINC000004307627	132274774	/nfs/dbraw/zinc/27/47/74/132274774.db2.gz	NYNWKYQTWSHKOO-UHFFFAOYSA-N	0	0	410.499	4.026	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)nc3c(c4Cl)CCC3)CC2)cc1	ZINC000004905883	132292616	/nfs/dbraw/zinc/29/26/16/132292616.db2.gz	JGGUDEUCJNVATI-UHFFFAOYSA-N	0	0	421.928	4.348	50	10		HICARN
Cc1cc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)n1-c1ccc(Cl)cc1	ZINC000006832039	132318305	/nfs/dbraw/zinc/31/83/05/132318305.db2.gz	XLVXHYGKQNOKHB-UHFFFAOYSA-N	0	0	408.933	4.147	50	10		HICARN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(SC(F)(F)F)cc1	ZINC000010907757	132346850	/nfs/dbraw/zinc/34/68/50/132346850.db2.gz	YQOZQKICFRRZHG-UHFFFAOYSA-N	0	0	410.461	4.407	50	10		HICARN
O=C(C1=CN(c2cc(F)cc(F)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1	ZINC000035527526	132802415	/nfs/dbraw/zinc/80/24/15/132802415.db2.gz	YGAXOTDNNCYNFR-UHFFFAOYSA-N	0	0	424.856	4.007	50	10		HICARN
CCCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=N)S1	ZINC000032964181	519917206	/nfs/dbraw/zinc/91/72/06/519917206.db2.gz	KHIYGSUHHOLNLI-RXVRHCFJSA-N	0	0	422.470	4.195	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=N)N2O1	ZINC000020236582	520854435	/nfs/dbraw/zinc/85/44/35/520854435.db2.gz	ZBMBHIZJGQIAEZ-MQIWZSEOSA-N	0	0	407.813	4.010	50	10		HICARN
COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2CC(C)C)cc1	ZINC000044085807	523151513	/nfs/dbraw/zinc/15/15/13/523151513.db2.gz	UFULNVFNWNBRQG-UHFFFAOYSA-N	0	0	400.504	4.242	50	10		HICARN
CCOC(=O)c1c(NC(=O)CCC(=O)Oc2ccc(C)cc2)sc2c1CCCC2	ZINC000000672698	557050060	/nfs/dbraw/zinc/05/00/60/557050060.db2.gz	VUSPGFIFHOASPN-UHFFFAOYSA-N	0	0	415.511	4.436	50	10		HICARN
CCOC(=O)c1c(C)nc2c(c1-c1ccc(OC)c(OC)c1)C(=O)c1ccccc1-2	ZINC000000804234	557085849	/nfs/dbraw/zinc/08/58/49/557085849.db2.gz	VPDRDTWQMVGQBF-UHFFFAOYSA-N	0	0	403.434	4.462	50	10		HICARN
COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1Cl	ZINC000001135911	557201158	/nfs/dbraw/zinc/20/11/58/557201158.db2.gz	HUQMPRLKCRUENW-APSNUPSMSA-N	0	0	405.884	4.483	50	10		HICARN
COc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)SC2=S)cc1	ZINC000001144301	557206719	/nfs/dbraw/zinc/20/67/19/557206719.db2.gz	KBJIKBOYGGTSFU-SXGWCWSVSA-N	0	0	421.927	4.464	50	10		HICARN
O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1	ZINC000001186180	557234136	/nfs/dbraw/zinc/23/41/36/557234136.db2.gz	ODIZQFZHSUDGGS-SFQUDFHCSA-N	0	0	416.499	4.151	50	10		HICARN
O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(c2ccccc2)C1=O	ZINC000001810851	557290175	/nfs/dbraw/zinc/29/01/75/557290175.db2.gz	NQTYYRQKRAFTOJ-YPKPFQOOSA-N	0	0	417.309	4.177	50	10		HICARN
COc1ccc(OCCCOc2cccc(C=C3SC(=S)NC3=O)c2)cc1	ZINC000002874254	557416221	/nfs/dbraw/zinc/41/62/21/557416221.db2.gz	VQFMGDZXBKYNQR-QGOAFFKASA-N	0	0	401.509	4.032	50	10		HICARN
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Br)c1	ZINC000003997111	557504258	/nfs/dbraw/zinc/50/42/58/557504258.db2.gz	KEASEEQCHMCLQA-UHFFFAOYSA-N	0	0	406.235	4.477	50	10		HICARN
COCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)C(C(=O)OC)=C1C	ZINC000004688412	557581352	/nfs/dbraw/zinc/58/13/52/557581352.db2.gz	IEWSIAULEWAZEZ-STZFKDTASA-N	0	0	422.525	4.030	50	10		HICARN
COc1ccccc1OCCCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1	ZINC000004755054	557593288	/nfs/dbraw/zinc/59/32/88/557593288.db2.gz	XIYXJKSDZVXVBW-XMHGGMMESA-N	0	0	415.536	4.374	50	10		HICARN
O=C1C(=CNC2CCCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1	ZINC000005562107	557662109	/nfs/dbraw/zinc/66/21/09/557662109.db2.gz	VKRUKZNSTUCBLD-UHFFFAOYSA-N	0	0	401.551	4.249	50	10		HICARN
COc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1	ZINC000011847384	558289289	/nfs/dbraw/zinc/28/92/89/558289289.db2.gz	LRXZDXXIJDRIBV-FOWTUZBSSA-N	0	0	418.565	4.377	50	10		HICARN
CCOc1c(Br)cc(Br)cc1C=C1SC(=S)NC1=O	ZINC000012339162	558385969	/nfs/dbraw/zinc/38/59/69/558385969.db2.gz	IICWIZNIRUDXNZ-WTKPLQERSA-N	0	0	423.151	4.099	50	10		HICARN
Cc1cc(C(=O)Cn2c3ccccc3nc2NCCO)c(C)n1-c1ccc(C)cc1	ZINC000013041449	558507515	/nfs/dbraw/zinc/50/75/15/558507515.db2.gz	RTADMBCXJLSOCH-UHFFFAOYSA-N	0	0	402.498	4.039	50	10		HICARN
Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	ZINC000013055784	558508349	/nfs/dbraw/zinc/50/83/49/558508349.db2.gz	BYPFIRPFIBAPGT-UHFFFAOYSA-N	0	0	407.514	4.265	50	10		HICARN
C[C@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1Cl	ZINC000013062880	558510152	/nfs/dbraw/zinc/51/01/52/558510152.db2.gz	BECXCGFZFFFTRS-AWEZNQCLSA-N	0	0	418.880	4.405	50	10		HICARN
COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4C(C)=CSC4=NC3=O)c2C)c1	ZINC000013769599	558591697	/nfs/dbraw/zinc/59/16/97/558591697.db2.gz	ILACNFUEDNMMJX-AUOSKKFYSA-N	0	0	422.510	4.278	50	10		HICARN
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1	ZINC000014009153	558612914	/nfs/dbraw/zinc/61/29/14/558612914.db2.gz	ZKLIGIUNYAWKTI-MOSHPQCFSA-N	0	0	406.438	4.479	50	10		HICARN
CN(C)c1ccc(CN(C)C(=O)c2ccccc2OCCOc2ccccc2)cc1	ZINC000028495073	558701599	/nfs/dbraw/zinc/70/15/99/558701599.db2.gz	NSHTVXIDYLTWST-UHFFFAOYSA-N	0	0	404.510	4.483	50	10		HICARN
COc1ccc(CCN2C(=O)/C(=C/N(C)c3ccccc3)SC2=S)cc1OC	ZINC000030819315	558738830	/nfs/dbraw/zinc/73/88/30/558738830.db2.gz	OPHBLLWGPTWWQW-RGEXLXHISA-N	0	0	414.552	4.084	50	10		HICARN
COc1ccccc1OCCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1	ZINC000015857255	558757198	/nfs/dbraw/zinc/75/71/98/558757198.db2.gz	VZYYVHZJAGUMAG-XMHGGMMESA-N	0	0	415.536	4.374	50	10		HICARN
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1cc[n+]([O-])cc1	ZINC000046258886	558787390	/nfs/dbraw/zinc/78/73/90/558787390.db2.gz	AERXQSMAEUPWCY-IBGZPJMESA-N	0	0	415.415	4.245	50	10		HICARN
CC1=CSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccc(C)c4)cc3)C(=N)N12	ZINC000004694963	558905694	/nfs/dbraw/zinc/90/56/94/558905694.db2.gz	YTRJHEYJKJUEHJ-OOEDSJJISA-N	0	0	403.463	4.381	50	10		HICARN
COC(=O)/C=C/c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1	ZINC000058381615	558923201	/nfs/dbraw/zinc/92/32/01/558923201.db2.gz	GPDWVCUJXTVNFK-WGLAMXGCSA-N	0	0	424.453	4.284	50	10		HICARN
COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)C(C)(C)C)CC2)cc1	ZINC000023181552	559031445	/nfs/dbraw/zinc/03/14/45/559031445.db2.gz	HBALENVETKAKHR-UWJYYQICSA-N	0	0	415.603	4.171	50	10		HICARN
CCN1C(=O)/C(=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21	ZINC000033291339	559045802	/nfs/dbraw/zinc/04/58/02/559045802.db2.gz	LIQDNVSPDYKXGV-FOCLMDBBSA-N	0	0	400.912	4.483	50	10		HICARN
O=C1/C(=C/c2cc3c(cc2Cl)OCO3)SC(=S)N1c1cccc([N+](=O)[O-])c1	ZINC000033314209	559055252	/nfs/dbraw/zinc/05/52/52/559055252.db2.gz	FJSJYPBTCVBNQC-WCSRMQSCSA-N	0	0	420.855	4.383	50	10		HICARN
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Cn2cncn2)cc1	ZINC000100422640	559134987	/nfs/dbraw/zinc/13/49/87/559134987.db2.gz	KZNLHCYEJLOQNP-JWGURIENSA-N	0	0	418.476	4.354	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=N)S1	ZINC000004837135	559166277	/nfs/dbraw/zinc/16/62/77/559166277.db2.gz	DNQYJGOOZTYPGH-FMVWKBIMSA-N	0	0	409.427	4.192	50	10		HICARN
COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1C	ZINC000005013616	559228252	/nfs/dbraw/zinc/22/82/52/559228252.db2.gz	CFWYGBVJPHDLNU-DGOGAKRRSA-N	0	0	403.438	4.033	50	10		HICARN
CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)[NH+]2CCCC2)cc1	ZINC000005097978	559245201	/nfs/dbraw/zinc/24/52/01/559245201.db2.gz	PLGNUWABYKGAPR-HXUWFJFHSA-N	0	0	405.464	4.338	50	10		HICARN
COc1ccc([C@@H](C[N+](=O)[O-])C2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1	ZINC000000838864	559286825	/nfs/dbraw/zinc/28/68/25/559286825.db2.gz	AREJMZKFEFSELX-OAQYLSRUSA-N	0	0	401.418	4.073	50	10		HICARN
CSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C2=N)S1	ZINC000005500404	560598450	/nfs/dbraw/zinc/59/84/50/560598450.db2.gz	FVNRVQKBBBHKEU-YGHDLIBZSA-N	0	0	409.540	4.093	50	10		HICARN
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N=C4SC(C)=CN4C3=N)o2)cc1	ZINC000005576735	560624563	/nfs/dbraw/zinc/62/45/63/560624563.db2.gz	JZRBXUKSAYVWNW-OXMFYWCOSA-N	0	0	407.451	4.290	50	10		HICARN
Cc1cc(C(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1	ZINC000005656140	560636849	/nfs/dbraw/zinc/63/68/49/560636849.db2.gz	PTJJMGMXHQYMTJ-LJQANCHMSA-N	0	0	415.493	4.443	50	10		HICARN
CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)SC1=S	ZINC000001207162	560727871	/nfs/dbraw/zinc/72/78/71/560727871.db2.gz	DQIKMCACCMPMOA-BOPFTXTBSA-N	0	0	417.483	4.275	50	10		HICARN
COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)cc(OC)c1OC(C)=O	ZINC000097990655	560758491	/nfs/dbraw/zinc/75/84/91/560758491.db2.gz	OSVSPYNHABUZPZ-WOJGMQOQSA-N	0	0	412.467	4.020	50	10		HICARN
COC(=O)c1cc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1Cl	ZINC000101113896	560786824	/nfs/dbraw/zinc/78/68/24/560786824.db2.gz	JSZLRLCWQWTHII-MHWRWJLKSA-N	0	0	404.253	4.499	50	10		HICARN
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@@H]3C2=O)c(C)c1	ZINC000102729490	560822136	/nfs/dbraw/zinc/82/21/36/560822136.db2.gz	BLQLYXPJSHXHPC-RJGXRXQPSA-N	0	0	414.461	4.060	50	10		HICARN
CC(C)c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)cc1	ZINC000048988596	568444048	/nfs/dbraw/zinc/44/40/48/568444048.db2.gz	YCPBXSHJHZGHNE-UHFFFAOYSA-N	0	0	414.502	4.338	50	10		HICARN
COC(=O)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4O)=NN32)cc1	ZINC000020070679	568587500	/nfs/dbraw/zinc/58/75/00/568587500.db2.gz	PVVJSNNRVIVJAX-NFBKMPQASA-N	0	0	400.434	4.421	50	10		HICARN
COc1ccc(N2CCN(c3ncnc4onc(-c5ccc(Cl)cc5)c43)CC2)cc1	ZINC000020329846	568599121	/nfs/dbraw/zinc/59/91/21/568599121.db2.gz	YEPWGYOTNCKCHH-UHFFFAOYSA-N	0	0	421.888	4.273	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3nc(Br)sc3C(C)C)CC2)cc1	ZINC000095476178	568630194	/nfs/dbraw/zinc/63/01/94/568630194.db2.gz	AHILYTBHQPTACG-UHFFFAOYSA-N	0	0	424.364	4.000	50	10		HICARN
Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)NCc3ccc(N(C)C)cc3)c2)on1	ZINC000020979091	568654197	/nfs/dbraw/zinc/65/41/97/568654197.db2.gz	IHXTXNYEIUXYJP-UHFFFAOYSA-N	0	0	413.543	4.318	50	10		HICARN
CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccccc1	ZINC000000857534	568713100	/nfs/dbraw/zinc/71/31/00/568713100.db2.gz	JWDMHPXCGMSTAU-UHFFFAOYSA-N	0	0	408.450	4.418	50	10		HICARN
Cc1cc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000096581827	568762663	/nfs/dbraw/zinc/76/26/63/568762663.db2.gz	HUVYGXUSGCNMSP-YBFXNURJSA-N	0	0	423.469	4.493	50	10		HICARN
COc1ccc([C@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1OC	ZINC000001219003	568836760	/nfs/dbraw/zinc/83/67/60/568836760.db2.gz	SODCIWIGEOKFSE-QFIPXVFZSA-N	0	0	414.461	4.477	50	10		HICARN
CN(C)c1ccc([C@H](C[N+](=O)[O-])C2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1	ZINC000003164274	568858954	/nfs/dbraw/zinc/85/89/54/568858954.db2.gz	GVOUXPPSVMEJEN-QFIPXVFZSA-N	0	0	414.461	4.130	50	10		HICARN
Cc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000003667621	568867168	/nfs/dbraw/zinc/86/71/68/568867168.db2.gz	DGVYGUBMBQVGHW-MOSHPQCFSA-N	0	0	424.526	4.393	50	10		HICARN
CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4C(=O)OC)o3)C2=N)S1	ZINC000001249221	568908581	/nfs/dbraw/zinc/90/85/81/568908581.db2.gz	PXVGFYWOLHSGGD-AXPJIBDUSA-N	0	0	422.466	4.152	50	10		HICARN
COC(=O)C1=CN(c2ccc(OCc3ccccc3)cc2)c2ccccc2S1(=O)=O	ZINC000263616307	568910905	/nfs/dbraw/zinc/91/09/05/568910905.db2.gz	IAPJOAKGYDHWRG-UHFFFAOYSA-N	0	0	421.474	4.205	50	10		HICARN
CCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)cc1OC	ZINC000004037377	568935724	/nfs/dbraw/zinc/93/57/24/568935724.db2.gz	DNNHMJITYOMASP-LGMDPLHJSA-N	0	0	423.556	4.029	50	10		HICARN
O=C(c1cc2ccccc2c(C[N@@H+]2CCC[C@@H]2c2cccs2)c1[O-])N1CCOCC1	ZINC000008314776	568989852	/nfs/dbraw/zinc/98/98/52/568989852.db2.gz	QQCQWJQKVLTMTO-OAQYLSRUSA-N	0	0	422.550	4.416	50	10		HICARN
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1	ZINC000008315454	568990110	/nfs/dbraw/zinc/99/01/10/568990110.db2.gz	ZELFHSXQFBBQEA-VKAVYKQESA-N	0	0	411.552	4.264	50	10		HICARN
Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1Cc1ccccc1	ZINC000035212360	569012687	/nfs/dbraw/zinc/01/26/87/569012687.db2.gz	KGCYRXRMBQUZQA-OOEDSJJISA-N	0	0	405.527	4.428	50	10		HICARN
CC(C)CCNC(=O)c1cnn2c1[nH]c(CSc1ccc(Cl)cc1)cc2=O	ZINC000006159584	569015578	/nfs/dbraw/zinc/01/55/78/569015578.db2.gz	WEJJSATVCHHOSH-UHFFFAOYSA-N	0	0	404.923	4.157	50	10		HICARN
CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1	ZINC000006162629	569016048	/nfs/dbraw/zinc/01/60/48/569016048.db2.gz	ZAWDACSFXAODLW-MHWRWJLKSA-N	0	0	414.464	4.177	50	10		HICARN
COC(=O)c1ccc([C@@H]2N=C(c3ccc(OC)cc3)C[C@@H](c3ccccc3O)N2)cc1	ZINC000053363544	569027661	/nfs/dbraw/zinc/02/76/61/569027661.db2.gz	IALQLKNASWFOCK-LADGPHEKSA-N	0	0	416.477	4.410	50	10		HICARN
O=C1C(=Cc2cccc(Br)c2)NC(=S)N1Cc1ccccc1Cl	ZINC000105556402	569057237	/nfs/dbraw/zinc/05/72/37/569057237.db2.gz	IIEVQFGWRDPMHY-DHDCSXOGSA-N	0	0	407.720	4.360	50	10		HICARN
CN(Cc1ccccc1O)C(=O)COc1ccc2ccccc2c1Br	ZINC000053916059	569057241	/nfs/dbraw/zinc/05/72/41/569057241.db2.gz	DEBFWPGYLYXZQY-UHFFFAOYSA-N	0	0	400.272	4.345	50	10		HICARN
COc1ccc(N2CCN(CC(=O)N3c4ccc(C)cc4[C@H](C)CC3(C)C)CC2)cc1	ZINC000169681405	569127509	/nfs/dbraw/zinc/12/75/09/569127509.db2.gz	GNWDFYWZUKWISM-HXUWFJFHSA-N	0	0	421.585	4.445	50	10		HICARN
CCOc1ccc(N(C)[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1	ZINC000006804159	569130647	/nfs/dbraw/zinc/13/06/47/569130647.db2.gz	PPVLMTMHHNOFIF-QHCPKHFHSA-N	0	0	410.539	4.241	50	10		HICARN
CN(C)c1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)cc1	ZINC000065061113	569165084	/nfs/dbraw/zinc/16/50/84/569165084.db2.gz	XOZRFSARGSBPPD-UHFFFAOYSA-N	0	0	416.500	4.455	50	10		HICARN
COc1ccc(-c2noc(-c3ccc(NCc4ccc(N(C)C)cc4)nc3)n2)cc1	ZINC000065097868	569176656	/nfs/dbraw/zinc/17/66/56/569176656.db2.gz	LRCBHGVRFRYPME-UHFFFAOYSA-N	0	0	401.470	4.485	50	10		HICARN
O=C(Cn1c(=O)[nH]c2ccccc21)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21	ZINC000089826469	569266615	/nfs/dbraw/zinc/26/66/15/569266615.db2.gz	MFFVYSNRLNWAKN-RUZDIDTESA-N	0	0	423.472	4.094	50	10		HICARN
O=C(Nc1ccc(N=Nc2ccccc2)c(NC(=O)[C@H]2CCCO2)c1)[C@H]1CCCO1	ZINC000252606008	569297476	/nfs/dbraw/zinc/29/74/76/569297476.db2.gz	GOOBZODYDNMMBG-WOJBJXKFSA-N	0	0	408.458	4.337	50	10		HICARN
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1	ZINC000027531603	569366897	/nfs/dbraw/zinc/36/68/97/569366897.db2.gz	RVRAIYBPCSJYJK-XMHGGMMESA-N	0	0	415.536	4.374	50	10		HICARN
Cc1cc(/C=C2/C(=N)N3c4ccccc4SC3=NC2=O)c(C)n1C[C@@H]1CCCO1	ZINC000002341781	569376402	/nfs/dbraw/zinc/37/64/02/569376402.db2.gz	RHRKAPMDRYFYOH-PPNNSIRBSA-N	0	0	406.511	4.153	50	10		HICARN
Nc1nn2c([nH]c(=O)cc2C(F)(F)F)c1N=Nc1ccc(Br)cc1	ZINC000253532063	569382685	/nfs/dbraw/zinc/38/26/85/569382685.db2.gz	XURBSMKJQPNYBK-UHFFFAOYSA-N	0	0	401.146	4.214	50	10		HICARN
CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1	ZINC000039427793	571132027	/nfs/dbraw/zinc/13/20/27/571132027.db2.gz	LCFYSNIXRPPISZ-OAQYLSRUSA-N	0	0	402.502	4.052	50	10		HICARN
Cc1cc(CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(C)n1-c1ccccc1	ZINC000009156046	571231801	/nfs/dbraw/zinc/23/18/01/571231801.db2.gz	AJNVAUZXXOMZCT-UHFFFAOYSA-N	0	0	413.499	4.060	50	10		HICARN
CN1C(=O)/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S	ZINC000009296473	571245845	/nfs/dbraw/zinc/24/58/45/571245845.db2.gz	QPUAIWKURNLQOF-OVCLIPMQSA-N	0	0	417.424	4.126	50	10		HICARN
CCc1ccc(/C=C2\C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)cc1	ZINC000004916953	845071919	/nfs/dbraw/zinc/07/19/19/845071919.db2.gz	MVCKZQBMNOSLKR-ZXTIBJMCSA-N	0	0	404.495	4.256	50	10		HICARN
O=C1C(=Cc2ccccn2)SC(=S)N1Nc1ncc(C(F)(F)F)cc1Cl	ZINC000006191365	845182113	/nfs/dbraw/zinc/18/21/13/845182113.db2.gz	YVKXFTNXJDGYPI-WDZFZDKYSA-N	0	0	416.837	4.377	50	10		HICARN
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)/C=C/c2c(C)nn(C)c2C)cc1	ZINC000007986880	845458661	/nfs/dbraw/zinc/45/86/61/845458661.db2.gz	XNLWTVNVJZHNIF-FOCLMDBBSA-N	0	0	418.541	4.358	50	10		HICARN
O=C1C(=Cc2ccccn2)SC(=S)N1Nc1ncc(C(F)(F)F)cc1Cl	ZINC000012512355	845876169	/nfs/dbraw/zinc/87/61/69/845876169.db2.gz	YVKXFTNXJDGYPI-IZZDOVSWSA-N	0	0	416.837	4.377	50	10	aggregator	HICARN
COc1ccc(C(=O)Nc2cccc(/C=C3/SC(=S)N(C4CC4)C3=O)c2)cc1	ZINC000089438753	852544913	/nfs/dbraw/zinc/54/49/13/852544913.db2.gz	CGJQYZDUMVTXDA-LDADJPATSA-N	0	0	410.520	4.311	50	10		HICARN
CC(=O)N(c1nc(/C=C2\SC(=S)N(C)C2=O)cs1)c1cccc(Cl)c1	ZINC000096935887	852559127	/nfs/dbraw/zinc/55/91/27/852559127.db2.gz	ZKPVLGSDXKIZGE-QPEQYQDCSA-N	0	0	409.945	4.312	50	10		HICARN
O=[N+]([O-])c1cccc(-c2ccc(C(=S)N3CCN(c4ccc(F)cc4)CC3)o2)c1	ZINC000001214194	132242819	/nfs/dbraw/zinc/24/28/19/132242819.db2.gz	NSVRNEDPEGIHOW-UHFFFAOYSA-N	0	0	411.458	4.492	50	10		HICARN
Cc1cc(C(=O)CN2C(=O)COc3ccc(Cl)cc32)c(C)n1-c1ccc(F)cc1	ZINC000006661410	132312707	/nfs/dbraw/zinc/31/27/07/132312707.db2.gz	XYGJDGAJUKNKDH-UHFFFAOYSA-N	0	0	412.848	4.495	50	10		HICARN
CC[C@H](C)N1C(=O)/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC1=S	ZINC000012948421	132450400	/nfs/dbraw/zinc/45/04/00/132450400.db2.gz	IPWUQEQEXLYLPZ-RAOBZKRQSA-N	0	0	413.568	4.071	50	10		HICARN
CN(C)c1nccnc1-c1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1	ZINC000033312949	132786577	/nfs/dbraw/zinc/78/65/77/132786577.db2.gz	MAJZVGILPTUYET-UHFFFAOYSA-N	0	0	415.541	4.130	50	10		HICARN
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1cc[nH+]cc1	ZINC000033334426	132789003	/nfs/dbraw/zinc/78/90/03/132789003.db2.gz	YBNHXTYCMKBXPC-MOSHPQCFSA-N	0	0	416.506	4.469	50	10		HICARN
CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=N)S1	ZINC000032109405	519558577	/nfs/dbraw/zinc/55/85/77/519558577.db2.gz	ZYINABMYTYXULJ-UWRFPUSRSA-N	0	0	409.427	4.130	50	10		HICARN
COc1cc(OC)c(OC)cc1CNC(=O)c1cc(C)n(-c2ccccc2F)c1C	ZINC000032906363	522824377	/nfs/dbraw/zinc/82/43/77/522824377.db2.gz	POZRMMMIWBEPIN-UHFFFAOYSA-N	0	0	412.461	4.189	50	10		HICARN
COc1ccc(/C=C2/SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1	ZINC000001180645	523413102	/nfs/dbraw/zinc/41/31/02/523413102.db2.gz	DGBXPSLBMZMSBB-CPNJWEJPSA-N	0	0	413.930	4.141	50	10		HICARN
C[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCC[C@H](C)C2)cc1	ZINC000072441622	525329330	/nfs/dbraw/zinc/32/93/30/525329330.db2.gz	ODQVKUHWZHROQU-VQTJNVASSA-N	0	0	407.558	4.251	50	10		HICARN
CC(C)OC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CC(C)(C)OC3	ZINC000004825570	535315682	/nfs/dbraw/zinc/31/56/82/535315682.db2.gz	PBDZBOILQROCJU-UHFFFAOYSA-N	0	0	403.548	4.285	50	10		HICARN
O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2cccc(Br)c2)o1	ZINC000000857541	557103306	/nfs/dbraw/zinc/10/33/06/557103306.db2.gz	QDPTYTCRYOFHNM-UHFFFAOYSA-N	0	0	403.228	4.463	50	10		HICARN
COC(=O)c1cc(-c2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)o2)ccc1Cl	ZINC000000857532	557103319	/nfs/dbraw/zinc/10/33/19/557103319.db2.gz	WONRAAGHBYUAHL-UHFFFAOYSA-N	0	0	416.813	4.140	50	10		HICARN
COc1ccc2c(c1)N(C)/C(=C1\SC(=S)N(Cc3ccccc3)C1=O)S2	ZINC000000973047	557128167	/nfs/dbraw/zinc/12/81/67/557128167.db2.gz	QOFAJBGAXXJXLN-FBMGVBCBSA-N	0	0	400.550	4.467	50	10		HICARN
CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)c2C)cc1	ZINC000000982478	557130719	/nfs/dbraw/zinc/13/07/19/557130719.db2.gz	VOADTJKVEHXDNQ-UZUMKDMXSA-N	0	0	412.511	4.254	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c(OC)c1OC	ZINC000001159372	557216903	/nfs/dbraw/zinc/21/69/03/557216903.db2.gz	IPSGBYGTPUGCHF-WJDWOHSUSA-N	0	0	401.509	4.427	50	10		HICARN
CN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S	ZINC000001159239	557216947	/nfs/dbraw/zinc/21/69/47/557216947.db2.gz	RMHIFJYJTKHEKS-ZDLGFXPLSA-N	0	0	409.492	4.429	50	10		HICARN
COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(O)cc2)cc1	ZINC000001191159	557236427	/nfs/dbraw/zinc/23/64/27/557236427.db2.gz	VTYZPJYOWFTVHT-KGENOOAVSA-N	0	0	415.405	4.144	50	10		HICARN
COc1cccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)c1	ZINC000001203210	557240077	/nfs/dbraw/zinc/24/00/77/557240077.db2.gz	OOQDHSDIHJPLFC-YVLHZVERSA-N	0	0	417.508	4.127	50	10		HICARN
O=C1N=C(Nc2ccc(Br)cc2)SC1=Cc1ccccc1[N+](=O)[O-]	ZINC000001217482	557246560	/nfs/dbraw/zinc/24/65/60/557246560.db2.gz	NLEKBARKXZRGGQ-ZROIWOOFSA-N	0	0	404.245	4.440	50	10		HICARN
COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1	ZINC000001217962	557247170	/nfs/dbraw/zinc/24/71/70/557247170.db2.gz	HYCCJXOILUAFIK-ATVHPVEESA-N	0	0	416.499	4.064	50	10		HICARN
COc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)c1	ZINC000001218346	557247534	/nfs/dbraw/zinc/24/75/34/557247534.db2.gz	VIFURLZTIBKXBR-BOPFTXTBSA-N	0	0	416.499	4.064	50	10		HICARN
CCCCCCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(N(CC)CC)cc1	ZINC000004042868	557507524	/nfs/dbraw/zinc/50/75/24/557507524.db2.gz	LIFBZIOBGVUSSG-HXUWFJFHSA-N	0	0	403.592	4.449	50	10		HICARN
C/C(NNCC(C)C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	ZINC000004761440	557595661	/nfs/dbraw/zinc/59/56/61/557595661.db2.gz	QMPOTXVIKSSYHG-CYVLTUHYSA-N	0	0	405.527	4.071	50	10		HICARN
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)SC2=S)cc1	ZINC000004937185	557615021	/nfs/dbraw/zinc/61/50/21/557615021.db2.gz	KSEYOOSPUOSJGZ-ZDLGFXPLSA-N	0	0	417.508	4.127	50	10		HICARN
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)cc1	ZINC000004990223	557622053	/nfs/dbraw/zinc/62/20/53/557622053.db2.gz	SJUOTJYVZTYREQ-UHFFFAOYSA-N	0	0	406.235	4.477	50	10		HICARN
COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c1	ZINC000002702089	557742713	/nfs/dbraw/zinc/74/27/13/557742713.db2.gz	JDQSCPABRJQMGU-WQRHYEAKSA-N	0	0	414.508	4.068	50	10		HICARN
COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc4ccccc43)c2C)C1=O	ZINC000009261120	557833416	/nfs/dbraw/zinc/83/34/16/557833416.db2.gz	PVFZPFYIECVEMT-UDWIEESQSA-N	0	0	420.490	4.457	50	10		HICARN
O=C(CSc1nc2ccccc2o1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000009833663	557850299	/nfs/dbraw/zinc/85/02/99/557850299.db2.gz	FSOXQZACPIXKKE-UHFFFAOYSA-N	0	0	414.442	4.334	50	10		HICARN
Cc1cccc(N2CCN(CN3C(=O)/C(=C/c4cccs4)SC3=S)CC2)c1	ZINC000019799314	558285133	/nfs/dbraw/zinc/28/51/33/558285133.db2.gz	IBMQVALCZUPNCD-AQTBWJFISA-N	0	0	415.609	4.037	50	10		HICARN
O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1C[C@H]1CCCO1	ZINC000012375685	558391911	/nfs/dbraw/zinc/39/19/11/558391911.db2.gz	ZTLRPNBAVPUXJC-OMJMQIJPSA-N	0	0	416.480	4.235	50	10		HICARN
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(O)c(OCC)c1	ZINC000012411441	558401011	/nfs/dbraw/zinc/40/10/11/558401011.db2.gz	MBMWWIDEFTXBEE-UYRXBGFRSA-N	0	0	423.465	4.067	50	10		HICARN
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1N=c1[nH]c2ccccc2s1	ZINC000012580020	558432345	/nfs/dbraw/zinc/43/23/45/558432345.db2.gz	IQDAHTUHRGMBCP-ZROIWOOFSA-N	0	0	414.493	4.433	50	10		HICARN
O=c1cc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nc2sccn21	ZINC000021728300	558447174	/nfs/dbraw/zinc/44/71/74/558447174.db2.gz	WIXPSACHKQKIRT-QGZVFWFLSA-N	0	0	424.551	4.091	50	10		HICARN
CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=N)S1	ZINC000004369138	558462314	/nfs/dbraw/zinc/46/23/14/558462314.db2.gz	AJXJNUFHXNOOCL-FZVWOUGZSA-N	0	0	409.427	4.130	50	10		HICARN
COc1cc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccccn2)ccc1O	ZINC000229969137	558481780	/nfs/dbraw/zinc/48/17/80/558481780.db2.gz	WAEQKLDNPDDUKK-MBSDFSHPSA-N	0	0	403.438	4.047	50	10		HICARN
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(F)cc1	ZINC000013532822	558537081	/nfs/dbraw/zinc/53/70/81/558537081.db2.gz	KXGWUTZCHLQIFY-UNOMPAQXSA-N	0	0	424.457	4.087	50	10		HICARN
COc1cc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)ccc1OCCC(C)C	ZINC000013785636	558593185	/nfs/dbraw/zinc/59/31/85/558593185.db2.gz	DJCRMLYXXYCYKK-WKVLGULQSA-N	0	0	418.559	4.200	50	10		HICARN
COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	ZINC000013897522	558600683	/nfs/dbraw/zinc/60/06/83/558600683.db2.gz	BSXGRUSLWDCMMX-NVNXTCNLSA-N	0	0	405.281	4.361	50	10		HICARN
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2cccc(Br)c2)o1	ZINC000026770729	558664848	/nfs/dbraw/zinc/66/48/48/558664848.db2.gz	GBRVCXASPZFCGZ-LFIBNONCSA-N	0	0	419.300	4.012	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc(OC)c1O	ZINC000015011187	558700609	/nfs/dbraw/zinc/70/06/09/558700609.db2.gz	SYVCBGRKRHJRAJ-AQTBWJFISA-N	0	0	415.536	4.243	50	10		HICARN
CCCCn1c(C)c(C(=O)OCC)c2c1cc(Br)c([O-])c2C[NH+](C)C	ZINC000038427340	558811440	/nfs/dbraw/zinc/81/14/40/558811440.db2.gz	WDPYODMBECCSNQ-UHFFFAOYSA-N	0	0	411.340	4.456	50	10		HICARN
CCS(=O)(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	ZINC000023113618	559011983	/nfs/dbraw/zinc/01/19/83/559011983.db2.gz	FECCCMDPUMDEEU-UHFFFAOYSA-N	0	0	400.475	4.279	50	10		HICARN
COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3C)N=C2C)cc(OC)c1OC	ZINC000033334164	559063104	/nfs/dbraw/zinc/06/31/04/559063104.db2.gz	WDYVDTVFCAYYPG-DHDCSXOGSA-N	0	0	400.862	4.480	50	10		HICARN
CN(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccc(F)cc2)cc1	ZINC000014610823	559171029	/nfs/dbraw/zinc/17/10/29/559171029.db2.gz	IXOOEZBGGDTUSK-UHFFFAOYSA-N	0	0	405.433	4.044	50	10		HICARN
CCCCCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1OC	ZINC000004859951	559192788	/nfs/dbraw/zinc/19/27/88/559192788.db2.gz	BKMJULWCKFAEEM-VTLGGBRFSA-N	0	0	418.559	4.344	50	10		HICARN
Cc1c(Cl)cccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1	ZINC000004953353	559216098	/nfs/dbraw/zinc/21/60/98/559216098.db2.gz	KORNNPBVVHGUIR-LJQANCHMSA-N	0	0	414.962	4.146	50	10		HICARN
CCC(=O)OCCNc1cc(N2CCCC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000004961926	559217887	/nfs/dbraw/zinc/21/78/87/559217887.db2.gz	UPAXSRVREJFDSK-UHFFFAOYSA-N	0	0	405.454	4.005	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OCCCOc4cccc(C)c4)cc3)C(=N)N2O1	ZINC000005013668	559228256	/nfs/dbraw/zinc/22/82/56/559228256.db2.gz	LMHCOEOWKNXWSN-XOLKAKTPSA-N	0	0	417.465	4.293	50	10		HICARN
COc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21	ZINC000005098669	559244532	/nfs/dbraw/zinc/24/45/32/559244532.db2.gz	VLHQVNRYOBBOKM-XMMPIXPASA-N	0	0	415.537	4.295	50	10	aggregator	HICARN
COc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21	ZINC000005098670	559244542	/nfs/dbraw/zinc/24/45/42/559244542.db2.gz	VLHQVNRYOBBOKM-DEOSSOPVSA-N	0	0	415.537	4.295	50	10	aggregator	HICARN
COc1ccc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1	ZINC000005164876	559277211	/nfs/dbraw/zinc/27/72/11/559277211.db2.gz	XIUUQEHWPWFRHY-OXMFYWCOSA-N	0	0	410.886	4.210	50	10		HICARN
Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1CCc1ccccc1)C(=O)N2	ZINC000005274376	560561295	/nfs/dbraw/zinc/56/12/95/560561295.db2.gz	YIGDDUPIQZWXLH-PGMHBOJBSA-N	0	0	407.473	4.440	50	10		HICARN
COc1ccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)CC2)cc1	ZINC000061991182	560564711	/nfs/dbraw/zinc/56/47/11/560564711.db2.gz	NEMYITZDZJMTDV-XRDLKFBZSA-N	0	0	424.585	4.131	50	10		HICARN
O=C1/C(=C/c2ccc3c(c2)OCO3)N=C(c2ccccc2Cl)N1c1nccs1	ZINC000005396395	560581176	/nfs/dbraw/zinc/58/11/76/560581176.db2.gz	AYUMEQAHYZBCRE-DHDCSXOGSA-N	0	0	409.854	4.360	50	10		HICARN
COc1ccc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)c([N+](=O)[O-])c1	ZINC000005518101	560604695	/nfs/dbraw/zinc/60/46/95/560604695.db2.gz	JYNDTDODQBGEGX-UHFFFAOYSA-N	0	0	413.382	4.007	50	10		HICARN
Cc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)n1-c1ccc(F)cc1	ZINC000005659044	560637027	/nfs/dbraw/zinc/63/70/27/560637027.db2.gz	CPAZZSHTWMXRIH-WDUKFBBWSA-N	0	0	400.494	4.331	50	10		HICARN
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCC	ZINC000003361659	560733728	/nfs/dbraw/zinc/73/37/28/560733728.db2.gz	RDSZQMSGICANOO-LCYFTJDESA-N	0	0	416.362	4.468	50	10		HICARN
O=C(CSc1ccccn1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O	ZINC000005673146	560774716	/nfs/dbraw/zinc/77/47/16/560774716.db2.gz	NTHRYOKGFNNYJZ-UHFFFAOYSA-N	0	0	408.866	4.241	50	10		HICARN
Cc1cc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)n1-c1ccccc1F	ZINC000048304085	568436284	/nfs/dbraw/zinc/43/62/84/568436284.db2.gz	KPSFHBCPAGQHMB-UHFFFAOYSA-N	0	0	419.500	4.268	50	10		HICARN
O=C(C1=CN(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1	ZINC000048990153	568444294	/nfs/dbraw/zinc/44/42/94/568444294.db2.gz	GOCDAMRKUQRQGG-UHFFFAOYSA-N	0	0	402.903	4.119	50	10		HICARN
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1[C@H](C)CCC[C@@H]1C	ZINC000024874723	568474172	/nfs/dbraw/zinc/47/41/72/568474172.db2.gz	KIYKRTPVGLKVEM-IYBDPMFKSA-N	0	0	415.559	4.223	50	10		HICARN
CC1CC[NH+](Cc2c([O-])ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc32)CC1	ZINC000019938610	568585920	/nfs/dbraw/zinc/58/59/20/568585920.db2.gz	FKFOFVHUXHEKGO-UHFFFAOYSA-N	0	0	407.466	4.169	50	10		HICARN
CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(F)cc1	ZINC000020236135	568595512	/nfs/dbraw/zinc/59/55/12/568595512.db2.gz	QYEAAVGIKCQYCJ-LWCDXBROSA-N	0	0	421.428	4.254	50	10		HICARN
COCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCCCC2)SC1=S	ZINC000020310787	568598389	/nfs/dbraw/zinc/59/83/89/568598389.db2.gz	XHJWWDOTRGJJMG-JXAWBTAJSA-N	0	0	413.568	4.073	50	10		HICARN
CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	ZINC000095426758	568608042	/nfs/dbraw/zinc/60/80/42/568608042.db2.gz	LARLOLGPYILEGF-HNNXBMFYSA-N	0	0	423.344	4.007	50	10		HICARN
COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1	ZINC000001202807	568823695	/nfs/dbraw/zinc/82/36/95/568823695.db2.gz	LCTPBDXXCPVZCL-AQTBWJFISA-N	0	0	412.536	4.234	50	10		HICARN
Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCO2	ZINC000003443557	568859697	/nfs/dbraw/zinc/85/96/97/568859697.db2.gz	ZANFVSOAKXJWEP-UHFFFAOYSA-N	0	0	412.373	4.132	50	10		HICARN
Cc1cc(N(CCO)CCO)ccc1/N=N/c1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000004774597	568936595	/nfs/dbraw/zinc/93/65/95/568936595.db2.gz	VJCRGIYTUNCUJU-QZQOTICOSA-N	0	0	413.261	4.416	50	10		HICARN
COc1ccc(-c2coc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)c2=O)cc1OC	ZINC000004064809	568937515	/nfs/dbraw/zinc/93/75/15/568937515.db2.gz	UANRRQZZKNTIAU-HNNXBMFYSA-N	0	0	409.482	4.415	50	10	biogenic	HICARN
COc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1	ZINC000001450756	568986146	/nfs/dbraw/zinc/98/61/46/568986146.db2.gz	ZKIXTHSXXGAIAX-CPNJWEJPSA-N	0	0	415.536	4.156	50	10		HICARN
COc1ccc(OC)c(C=C2SC(Nc3cc(OC)ccc3Cl)=NC2=O)c1	ZINC000085425870	568987644	/nfs/dbraw/zinc/98/76/44/568987644.db2.gz	SGUQDVRLUQOPQP-RQZCQDPDSA-N	0	0	404.875	4.448	50	10		HICARN
COC(=O)c1ccc([C@H]2N=C(c3ccc(OC)cc3)C[C@H](c3ccccc3O)N2)cc1	ZINC000053363545	569027606	/nfs/dbraw/zinc/02/76/06/569027606.db2.gz	IALQLKNASWFOCK-VWNXMTODSA-N	0	0	416.477	4.410	50	10		HICARN
COC(=O)c1ccc([C@@H]2N=C(c3cccc(OC)c3)C[C@H](c3ccccc3O)N2)cc1	ZINC000053363475	569027646	/nfs/dbraw/zinc/02/76/46/569027646.db2.gz	NGGFYPRROHKQIF-ISKFKSNPSA-N	0	0	416.477	4.410	50	10		HICARN
Cc1c(N2C(=O)/C(=C/[C@H]3CC=CCC3)SC2=S)c(=O)n(-c2ccccc2)n1C	ZINC000001791562	569053177	/nfs/dbraw/zinc/05/31/77/569053177.db2.gz	MKIGVKWUTCNDLG-SUCHYCSPSA-N	0	0	411.552	4.089	50	10		HICARN
COC(=O)C1=NN(c2ccccc2)C(=O)C(=NNc2cccc(C(F)(F)F)c2)C1=O	ZINC000252428273	569057849	/nfs/dbraw/zinc/05/78/49/569057849.db2.gz	WEZORHASZDUBMY-UHFFFAOYSA-N	0	0	418.331	4.159	50	10		HICARN
CN1CCCc2cc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)ccc21	ZINC000054360777	569072243	/nfs/dbraw/zinc/07/22/43/569072243.db2.gz	FFDNPHXEBSYUAW-GRSHGNNSSA-N	0	0	410.520	4.204	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccncc2)c1	ZINC000006721807	569099280	/nfs/dbraw/zinc/09/92/80/569099280.db2.gz	IGHQPDUXYASWSO-WMZHIEFXSA-N	0	0	403.438	4.047	50	10		HICARN
CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	ZINC000006831018	569147283	/nfs/dbraw/zinc/14/72/83/569147283.db2.gz	VCGOZLKNUXXJIY-UHFFFAOYSA-N	0	0	419.481	4.156	50	10		HICARN
CC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(N(C)C)cc4)cc3)ccc21	ZINC000065027010	569155913	/nfs/dbraw/zinc/15/59/13/569155913.db2.gz	FDURZJDJMXJJFF-UHFFFAOYSA-N	0	0	413.521	4.259	50	10		HICARN
CN(C)c1ccc(CNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)cc1	ZINC000065063045	569166869	/nfs/dbraw/zinc/16/68/69/569166869.db2.gz	QPPQNYNRWXGZQH-UHFFFAOYSA-N	0	0	404.495	4.461	50	10		HICARN
CCOC(=O)c1ccc(NC2(c3ccc(OC)cc3)C(=O)c3ccccc3C2=O)cc1	ZINC000006902058	569178078	/nfs/dbraw/zinc/17/80/78/569178078.db2.gz	RAWFJKKZNSBOTB-UHFFFAOYSA-N	0	0	415.445	4.259	50	10		HICARN
CCC(=O)Nc1cc2nc(C)ccc2c(C(=O)NCc2ccc(N3CCCC3)cc2)c1	ZINC000065135967	569184084	/nfs/dbraw/zinc/18/40/84/569184084.db2.gz	KMZUZWYTACXYTQ-UHFFFAOYSA-N	0	0	416.525	4.422	50	10		HICARN
CC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@H](c1cc(Cl)ccc1O)N2	ZINC000065297953	569219193	/nfs/dbraw/zinc/21/91/93/569219193.db2.gz	GSDYKTYAYSTBMX-OAQYLSRUSA-N	0	0	411.933	4.216	50	10		HICARN
COc1ccc(-c2cnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1	ZINC000007423613	569238027	/nfs/dbraw/zinc/23/80/27/569238027.db2.gz	NWCCGSADGZLIHH-UHFFFAOYSA-N	0	0	410.524	4.436	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1O	ZINC000001177896	569277437	/nfs/dbraw/zinc/27/74/37/569277437.db2.gz	QJCKCOPYBGJYBU-WJDWOHSUSA-N	0	0	414.255	4.032	50	10		HICARN
COc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCC5)cc1OC	ZINC000002120621	569285409	/nfs/dbraw/zinc/28/54/09/569285409.db2.gz	KJQJOYOAWANCDU-UHFFFAOYSA-N	0	0	407.466	4.354	50	10	biogenic	HICARN
CN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21	ZINC000027528242	569364266	/nfs/dbraw/zinc/36/42/66/569364266.db2.gz	ACYIMYRQUUDIGC-NXVVXOECSA-N	0	0	400.912	4.088	50	10		HICARN
O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1	ZINC000027532428	569367568	/nfs/dbraw/zinc/36/75/68/569367568.db2.gz	CQUDSAXWBRGVKY-UHFFFAOYSA-N	0	0	407.278	4.327	50	10		HICARN
Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(I)cc1	ZINC000002301903	569372191	/nfs/dbraw/zinc/37/21/91/569372191.db2.gz	FLLZMZCYVKBELX-RIYZIHGNSA-N	0	0	424.263	4.023	50	10		HICARN
CN(C)c1ccc([C@@H](CNC(=O)c2ccsc2)N2CCc3ccccc3C2)cc1	ZINC000038666780	571054757	/nfs/dbraw/zinc/05/47/57/571054757.db2.gz	QSROKDUEIQFSHZ-HSZRJFAPSA-N	0	0	405.567	4.344	50	10		HICARN
Cc1cc(C2=Nn3c(nnc3-c3ccncc3)S[C@H]2C)c(C)n1-c1ccccc1	ZINC000008745053	571110857	/nfs/dbraw/zinc/11/08/57/571110857.db2.gz	LUAUOIWMLIZBKP-INIZCTEOSA-N	0	0	400.511	4.494	50	10		HICARN
COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccc(OC)cc3OC)c2C)cc1	ZINC000009228661	571239393	/nfs/dbraw/zinc/23/93/93/571239393.db2.gz	JSNUDSUJZTUNGA-UHFFFAOYSA-N	0	0	409.486	4.442	50	10		HICARN
COc1ccccc1-n1c(C)cc(CNC(=O)Nc2ccc3c(c2)OCCO3)c1C	ZINC000009228896	571239597	/nfs/dbraw/zinc/23/95/97/571239597.db2.gz	YXSNDEQNERGKRQ-UHFFFAOYSA-N	0	0	407.470	4.196	50	10		HICARN
CNC(=O)c1ccc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)cc1	ZINC000010185983	571295879	/nfs/dbraw/zinc/29/58/79/571295879.db2.gz	QTUIBHYCAYQORK-UHFFFAOYSA-N	0	0	403.438	4.005	50	10		HICARN
CCN1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2N2CCCCC2)SC1=S	ZINC000006083803	845168672	/nfs/dbraw/zinc/16/86/72/845168672.db2.gz	QAQMWRQBEJCOJK-NBVRZTHBSA-N	0	0	412.584	4.392	50	10		HICARN
Cc1ccccc1NC1=NC(=O)C(=Cc2ccccc2OCC(=O)N2CCCC2)S1	ZINC000012608210	845878248	/nfs/dbraw/zinc/87/82/48/845878248.db2.gz	UDNBJKWHRIQHBD-XSFVSMFZSA-N	0	0	421.522	4.079	50	10		HICARN
COC(=O)c1cccc(NC(=O)/C=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	ZINC000098053870	852650972	/nfs/dbraw/zinc/65/09/72/852650972.db2.gz	DOJZRCVHNWFJBI-YFHOEESVSA-N	0	0	418.449	4.261	50	10		HICARN
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000000664866	132230274	/nfs/dbraw/zinc/23/02/74/132230274.db2.gz	WYPYFGJDSTTYGU-NBVRZTHBSA-N	0	0	423.538	4.108	50	10		HICARN
O=c1c2ccccc2nc(/C=C/c2ccc(N3CCOCC3)cc2)n1-c1ccccc1	ZINC000009835820	132243938	/nfs/dbraw/zinc/24/39/38/132243938.db2.gz	QOCWYZHBOQQVOE-NTCAYCPXSA-N	0	0	409.489	4.393	50	10		HICARN
COc1cccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1	ZINC000001507239	132247008	/nfs/dbraw/zinc/24/70/08/132247008.db2.gz	UJBBCXFUGCYKRY-UHFFFAOYSA-N	0	0	414.486	4.444	50	10		HICARN
O=C1C(=CNCc2ccccc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	ZINC000003170471	132263032	/nfs/dbraw/zinc/26/30/32/132263032.db2.gz	YWPJCPZFXIRWLU-UHFFFAOYSA-N	0	0	413.502	4.025	50	10		HICARN
O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)cc2)N1CCc1ccccc1	ZINC000007884613	132326132	/nfs/dbraw/zinc/32/61/32/132326132.db2.gz	WJBCCADVHGGLIO-RUZDIDTESA-N	0	0	413.521	4.332	50	10		HICARN
CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(O)c(O)c(OC)c2)cc1	ZINC000007884093	132326142	/nfs/dbraw/zinc/32/61/42/132326142.db2.gz	KBJMZQQKRSMHLU-QFIPXVFZSA-N	0	0	406.438	4.276	50	10		HICARN
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000010906848	132346693	/nfs/dbraw/zinc/34/66/93/132346693.db2.gz	WFLXHVHIIQVSMJ-HNNXBMFYSA-N	0	0	423.340	4.256	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3cccn3CCCOc3ccc(C)cc3C)C(=N)N2O1	ZINC000032969697	520853461	/nfs/dbraw/zinc/85/34/61/520853461.db2.gz	QOOMQVIDXAMOEU-NSMWAFFQSA-N	0	0	404.470	4.024	50	10		HICARN
CC1CCN(C(=O)C2=CN(c3ccc(Cl)cc3)c3ccccc3S2(=O)=O)CC1	ZINC000044169861	520974135	/nfs/dbraw/zinc/97/41/35/520974135.db2.gz	XPPPTHNZXDTAHP-UHFFFAOYSA-N	0	0	416.930	4.365	50	10		HICARN
CCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH2+]Cc1ccc(OC)cc1OC	ZINC000020573607	523742002	/nfs/dbraw/zinc/74/20/02/523742002.db2.gz	GIPVKFCQUVPCEH-UHFFFAOYSA-N	0	0	403.862	4.021	50	10		HICARN
CCNc1cc(N2CCC[C@H](C(=O)OCC)C2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000006737978	535520870	/nfs/dbraw/zinc/52/08/70/535520870.db2.gz	UFYITHKDCWCWQY-AWEZNQCLSA-N	0	0	419.481	4.251	50	10		HICARN
CCc1cc(=O)oc2c1cc(Cl)c1c2CN(c2ccc(OC)c(OC)c2)CO1	ZINC000009293640	536095480	/nfs/dbraw/zinc/09/54/80/536095480.db2.gz	QFJMDWQKLISXGD-UHFFFAOYSA-N	0	0	401.846	4.383	50	10		HICARN
COc1ccc(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1	ZINC000004623422	536700701	/nfs/dbraw/zinc/70/07/01/536700701.db2.gz	QCAVIYAPWRNYAK-UHFFFAOYSA-N	0	0	414.571	4.254	50	10		HICARN
COCc1cc(C)nc2c1C(=O)N[C@H](c1ccc(N(C)C)cc1)N2c1ccc(F)cc1	ZINC000004708436	536704352	/nfs/dbraw/zinc/70/43/52/536704352.db2.gz	BDOGBBUGGPOAOM-QFIPXVFZSA-N	0	0	420.488	4.322	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(OC)c1OC	ZINC000001160203	557217586	/nfs/dbraw/zinc/21/75/86/557217586.db2.gz	DLEMZZWIZVFAIK-GDNBJRDFSA-N	0	0	405.472	4.257	50	10		HICARN
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OC	ZINC000001164099	557219658	/nfs/dbraw/zinc/21/96/58/557219658.db2.gz	MZOSVJUAOCFDTD-WQLSENKSSA-N	0	0	402.335	4.078	50	10		HICARN
CCOc1ccc(/C=C2/SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1	ZINC000001180713	557230601	/nfs/dbraw/zinc/23/06/01/557230601.db2.gz	GQDPZVYASDZIGT-LTGZKZEYSA-N	0	0	407.539	4.186	50	10		HICARN
CCOc1ccccc1/C=C1/SC(N2CCN(c3cccc(C)c3)CC2)=NC1=O	ZINC000001180968	557230887	/nfs/dbraw/zinc/23/08/87/557230887.db2.gz	QJWVGYLNITWJAK-LTGZKZEYSA-N	0	0	407.539	4.186	50	10		HICARN
CCN(CC)c1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1	ZINC000001192789	557237051	/nfs/dbraw/zinc/23/70/51/557237051.db2.gz	XDCIPQHYSBUCDA-ZCXUNETKSA-N	0	0	409.536	4.261	50	10		HICARN
O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cccc([N+](=O)[O-])c1	ZINC000002214265	557327630	/nfs/dbraw/zinc/32/76/30/557327630.db2.gz	UXGARLWZFHHZSK-UHFFFAOYSA-N	0	0	423.410	4.031	50	10		HICARN
CCN(CC)c1ccc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)cc1	ZINC000003953487	557503482	/nfs/dbraw/zinc/50/34/82/557503482.db2.gz	VLXYVINKLHWEEB-OBGWFSINSA-N	0	0	420.600	4.467	50	10		HICARN
CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c(C[NH+](C)C)c1[O-]	ZINC000004531308	557564116	/nfs/dbraw/zinc/56/41/16/557564116.db2.gz	ZRWDPSHNBLHZKI-UHFFFAOYSA-N	0	0	403.482	4.284	50	10		HICARN
Cc1cc2c(cc1/C=C1/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C1=O)OCO2	ZINC000004949658	557616320	/nfs/dbraw/zinc/61/63/20/557616320.db2.gz	MNKNDLSINKDNAF-LZYBPNLTSA-N	0	0	400.437	4.038	50	10		HICARN
C/C(=C1/C(=O)N(c2ccccc2)N=C1c1cc([N+](=O)[O-])c(Cl)cc1Cl)N(C)C	ZINC000008733484	557803005	/nfs/dbraw/zinc/80/30/05/557803005.db2.gz	YQALAVQKCFYQOX-BOPFTXTBSA-N	0	0	419.268	4.488	50	10		HICARN
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1	ZINC000009188752	557826247	/nfs/dbraw/zinc/82/62/47/557826247.db2.gz	YUCDSMYPMUVJGD-DHDCSXOGSA-N	0	0	406.891	4.334	50	10		HICARN
O=C(CN1CCC[C@@H]1c1cccs1)Nc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000013095371	558512602	/nfs/dbraw/zinc/51/26/02/558512602.db2.gz	ZBHIJMCWZSTEQL-LJQANCHMSA-N	0	0	416.502	4.299	50	10		HICARN
COc1ccc(CCN2C(=O)/C(=C\c3ccc4nccnc4c3)SC2=S)cc1	ZINC000013688563	558571148	/nfs/dbraw/zinc/57/11/48/558571148.db2.gz	DPGYDLWMVZYKIG-CPNJWEJPSA-N	0	0	407.520	4.082	50	10		HICARN
COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2cccc(OC)c2)C1=O	ZINC000013728404	558585359	/nfs/dbraw/zinc/58/53/59/558585359.db2.gz	GCRAEKRNSLFKFR-GZTJUZNOSA-N	0	0	424.503	4.369	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(OC)c1OC	ZINC000013768556	558591448	/nfs/dbraw/zinc/59/14/48/558591448.db2.gz	QEBHJNANQNEVGZ-AQTBWJFISA-N	0	0	415.536	4.156	50	10		HICARN
CN1CCN(C2=NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)CC1	ZINC000013786194	558593296	/nfs/dbraw/zinc/59/32/96/558593296.db2.gz	ZGZTZMRSDISVBM-BOPFTXTBSA-N	0	0	422.337	4.471	50	10		HICARN
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1nccs1	ZINC000013802210	558594778	/nfs/dbraw/zinc/59/47/78/558594778.db2.gz	NEHPVQRZCWPSRU-XFXZXTDPSA-N	0	0	409.945	4.027	50	10		HICARN
COc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(OC)c1OC	ZINC000013810476	558595431	/nfs/dbraw/zinc/59/54/31/558595431.db2.gz	GBNRYLPTQDBNPS-JIXASPRGSA-N	0	0	421.478	4.017	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N2CCc3sccc3[C@H]2C)cc1	ZINC000024777322	558612612	/nfs/dbraw/zinc/61/26/12/558612612.db2.gz	IMKUFPLMLHSUQW-QGZVFWFLSA-N	0	0	407.539	4.031	50	10		HICARN
COc1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)c1	ZINC000014009712	558613128	/nfs/dbraw/zinc/61/31/28/558613128.db2.gz	ILHVPWKCSREAHC-WSDLNYQXSA-N	0	0	419.456	4.335	50	10		HICARN
CN(C)c1ccc(CN(C)C(=O)CSc2nc3ccccc3n2C(F)F)cc1	ZINC000025982424	558653041	/nfs/dbraw/zinc/65/30/41/558653041.db2.gz	IGADAACWJROJHK-UHFFFAOYSA-N	0	0	404.486	4.248	50	10		HICARN
COc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccco2)C1=O	ZINC000015011055	558700372	/nfs/dbraw/zinc/70/03/72/558700372.db2.gz	SRVSRIWIQWSVDM-ZSOIEALJSA-N	0	0	410.314	4.452	50	10		HICARN
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	ZINC000015012662	558701013	/nfs/dbraw/zinc/70/10/13/558701013.db2.gz	OEJRFKIFAQNZOR-KGENOOAVSA-N	0	0	415.518	4.018	50	10		HICARN
CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1	ZINC000028877701	558706447	/nfs/dbraw/zinc/70/64/47/558706447.db2.gz	BSPKSTFHFBVCHZ-UHFFFAOYSA-N	0	0	401.510	4.259	50	10		HICARN
C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)NC3=O)ccc2O1	ZINC000015226405	558728784	/nfs/dbraw/zinc/72/87/84/558728784.db2.gz	MVXDMRREHDVWQH-JFENUBAZSA-N	0	0	419.531	4.352	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	ZINC000016045234	558770366	/nfs/dbraw/zinc/77/03/66/558770366.db2.gz	PJNVNFOIMRDXCU-UHFFFAOYSA-N	0	0	419.264	4.129	50	10		HICARN
COc1ccc(CCN2C(=S)N=NC2c2ccc(-n3cccc3)cc2)cc1OC	ZINC000017087425	558816222	/nfs/dbraw/zinc/81/62/22/558816222.db2.gz	REMGBRNJMPFDBN-UHFFFAOYSA-N	0	0	406.511	4.284	50	10		HICARN
COc1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4Cl)no3)CC2)cc1	ZINC000055545152	558882060	/nfs/dbraw/zinc/88/20/60/558882060.db2.gz	ZJZRYLBMXBZUGD-UHFFFAOYSA-N	0	0	419.312	4.374	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(F)cc1	ZINC000004699095	558907247	/nfs/dbraw/zinc/90/72/47/558907247.db2.gz	DFXZZGGXMSEGLJ-YBEGLDIGSA-N	0	0	401.821	4.365	50	10		HICARN
COc1ccc(CC(=O)c2ccc([O-])c(C[NH+]3C[C@H](C)C[C@@H](C)C3)c2O)cc1OC	ZINC000023135371	559018633	/nfs/dbraw/zinc/01/86/33/559018633.db2.gz	VKKBENYDLULSKQ-HZPDHXFCSA-N	0	0	413.514	4.018	50	10		HICARN
CSC1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C(=N)N12	ZINC000004761548	559053439	/nfs/dbraw/zinc/05/34/39/559053439.db2.gz	RYGBZSRAUHSCAE-SRRKIXIOSA-N	0	0	409.540	4.342	50	10		HICARN
CSC1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C(=N)N12	ZINC000004905431	559199753	/nfs/dbraw/zinc/19/97/53/559199753.db2.gz	LNCMXUDJYHBHPE-XCGHDDSDSA-N	0	0	413.503	4.173	50	10		HICARN
CCN1c2ccccc2/C(=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)C1=O	ZINC000005064077	559239740	/nfs/dbraw/zinc/23/97/40/559239740.db2.gz	QTEHRKVUMCVDDW-PGMHBOJBSA-N	0	0	407.473	4.352	50	10		HICARN
CN(C)c1ccc([C@H](CNC(=O)c2ccccc2F)N2CCc3ccccc32)cc1	ZINC000005098655	559244519	/nfs/dbraw/zinc/24/45/19/559244519.db2.gz	CWWBIFPZNMZRNE-DEOSSOPVSA-N	0	0	403.501	4.426	50	10		HICARN
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(Br)c1	ZINC000005124852	559248101	/nfs/dbraw/zinc/24/81/01/559248101.db2.gz	UBCCULNMEMMPHF-UHFFFAOYSA-N	0	0	406.235	4.477	50	10		HICARN
CCOc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000005544111	560607531	/nfs/dbraw/zinc/60/75/31/560607531.db2.gz	NJCNWBCGYQTLAA-GHRIWEEISA-N	0	0	416.524	4.298	50	10		HICARN
O=C1N=C(NC2CCCC2)SC1=Cc1ccc(OC(F)F)cc1OC(F)F	ZINC000006078818	560628915	/nfs/dbraw/zinc/62/89/15/560628915.db2.gz	ARARZBFMBKRUGM-QPEQYQDCSA-N	0	0	404.385	4.392	50	10		HICARN
COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc(OC)c1OC	ZINC000005636928	560635715	/nfs/dbraw/zinc/63/57/15/560635715.db2.gz	UDKNHLDUFYTIQN-UHFFFAOYSA-N	0	0	423.465	4.160	50	10		HICARN
COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)c2c1	ZINC000049942552	568453587	/nfs/dbraw/zinc/45/35/87/568453587.db2.gz	YYUXGDMSHMICEZ-NGYBGAFCSA-N	0	0	410.476	4.311	50	10		HICARN
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c1C	ZINC000020236944	568595758	/nfs/dbraw/zinc/59/57/58/568595758.db2.gz	CZZMCVXNSZGVKZ-IJTBWSOMSA-N	0	0	410.861	4.207	50	10		HICARN
Cc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)c(C)n1-c1ccc2c(c1)OCCO2	ZINC000095377441	568603292	/nfs/dbraw/zinc/60/32/92/568603292.db2.gz	VMFZPZTZGHGIJJ-UHFFFAOYSA-N	0	0	406.486	4.205	50	10		HICARN
COC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)c2=O)cc1	ZINC000020437490	568607101	/nfs/dbraw/zinc/60/71/01/568607101.db2.gz	QYBGWYGXEPBYBT-UHFFFAOYSA-N	0	0	423.465	4.309	50	10		HICARN
COC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)c2=O)cc1	ZINC000020438256	568607228	/nfs/dbraw/zinc/60/72/28/568607228.db2.gz	AFOPQVHOZUHMNI-OAHLLOKOSA-N	0	0	423.465	4.452	50	10		HICARN
COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccccc1F	ZINC000000857540	568713230	/nfs/dbraw/zinc/71/32/30/568713230.db2.gz	SAYFRPRIYJCFOM-UHFFFAOYSA-N	0	0	412.413	4.167	50	10		HICARN
COc1ccc(-c2ccc(C=C3C(=O)OC(C)(C(C)(C)C)OC3=O)o2)c([N+](=O)[O-])c1	ZINC000001172802	568821399	/nfs/dbraw/zinc/82/13/99/568821399.db2.gz	VQGFWMUWTLUVMO-UHFFFAOYSA-N	0	0	415.398	4.109	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(Cl)cc1	ZINC000001205381	568823801	/nfs/dbraw/zinc/82/38/01/568823801.db2.gz	BWHNHGFBNDYJIP-YBEGLDIGSA-N	0	0	419.911	4.399	50	10		HICARN
COC(=O)C1CCN([C@@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	ZINC000057794346	568861166	/nfs/dbraw/zinc/86/11/66/568861166.db2.gz	BBFOWCUJQRMSAQ-INIZCTEOSA-N	0	0	402.922	4.204	50	10		HICARN
COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccccc3O)C2=S)cc1	ZINC000001236292	568897069	/nfs/dbraw/zinc/89/70/69/568897069.db2.gz	ZSHLVVMUTWJHIQ-SFQUDFHCSA-N	0	0	414.508	4.267	50	10		HICARN
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1	ZINC000001303138	568913366	/nfs/dbraw/zinc/91/33/66/568913366.db2.gz	GZSVEIUWVXNWBC-BOPFTXTBSA-N	0	0	417.508	4.127	50	10		HICARN
COc1cc(-c2c3c(nc(C)c2C(C)=O)-c2ccccc2C3=O)cc(OC)c1OC	ZINC000001322703	568914752	/nfs/dbraw/zinc/91/47/52/568914752.db2.gz	MNKCCSJJDAUYHY-UHFFFAOYSA-N	0	0	403.434	4.497	50	10	biogenic	HICARN
CC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12	ZINC000248382977	568918076	/nfs/dbraw/zinc/91/80/76/568918076.db2.gz	YTGOGNHLRUMMKG-VXNXHJTFSA-N	0	0	420.468	4.198	50	10		HICARN
COc1ccc(NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1	ZINC000004042982	568935843	/nfs/dbraw/zinc/93/58/43/568935843.db2.gz	TXTSVVPLUPEBJH-HAVVHWLPSA-N	0	0	415.493	4.171	50	10		HICARN
CCN(Cc1cc(Br)ccc1O)C(=O)c1cncn1-c1ccccc1	ZINC000084774827	568959181	/nfs/dbraw/zinc/95/91/81/568959181.db2.gz	AQAZKXXNUKWJHI-UHFFFAOYSA-N	0	0	400.276	4.003	50	10		HICARN
O=C(c1ccccc1)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	ZINC000006222745	569029950	/nfs/dbraw/zinc/02/99/50/569029950.db2.gz	NQVSAKCAGHUBPY-GXDHUFHOSA-N	0	0	404.310	4.491	50	10		HICARN
CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)SC1=S	ZINC000006470500	569057958	/nfs/dbraw/zinc/05/79/58/569057958.db2.gz	DQIKMCACCMPMOA-GZTJUZNOSA-N	0	0	417.483	4.275	50	10		HICARN
Cc1ccc(C(=O)N/C(=C\c2ccc(N(C)C)cc2)C(=O)NC2CCCCC2)cc1	ZINC000027024828	569070995	/nfs/dbraw/zinc/07/09/95/569070995.db2.gz	BQFOZULAAGKTAA-QJOMJCCJSA-N	0	0	405.542	4.281	50	10		HICARN
COc1cc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN32)ccc1O	ZINC000006721735	569099339	/nfs/dbraw/zinc/09/93/39/569099339.db2.gz	NEOSSCDJYFVEOF-HOYKHHGWSA-N	0	0	418.449	4.357	50	10		HICARN
CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)NC2(CCCCCCC2)C1=O	ZINC000016878183	569266483	/nfs/dbraw/zinc/26/64/83/569266483.db2.gz	COSJFNHMFNIYNU-UHFFFAOYSA-N	0	0	412.578	4.101	50	10		HICARN
O=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1N1CCOCC1	ZINC000007778867	569309217	/nfs/dbraw/zinc/30/92/17/569309217.db2.gz	KIXBENCLTWYWTQ-LFIBNONCSA-N	0	0	406.916	4.048	50	10		HICARN
CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N(C)C1=O	ZINC000002300273	569372059	/nfs/dbraw/zinc/37/20/59/569372059.db2.gz	RUKPNIIWQRRAPQ-UHFFFAOYSA-N	0	0	419.264	4.006	50	10		HICARN
CC(=O)N(c1nc(/C=C2/SC(=S)N(C)C2=O)cs1)c1cccc(C)c1C	ZINC000012766047	569403313	/nfs/dbraw/zinc/40/33/13/569403313.db2.gz	KWVPPQBJJLXOSR-OVCLIPMQSA-N	0	0	403.554	4.276	50	10		HICARN
CCc1cc2c(=O)c(-c3nncn3-c3ccccc3)coc2c(C[NH+](CC)CC)c1[O-]	ZINC000010037797	571294273	/nfs/dbraw/zinc/29/42/73/571294273.db2.gz	AIBIJRUSNNRMEG-UHFFFAOYSA-N	0	0	418.497	4.151	50	10		HICARN
COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(Br)c1O	ZINC000002754479	845008404	/nfs/dbraw/zinc/00/84/04/845008404.db2.gz	MXXQZITZIJVNRH-NTEUORMPSA-N	0	0	405.273	4.246	50	10		HICARN
CC(=O)N(c1nc(/C=C2/SC(=S)N(C)C2=O)cs1)c1cccc(Cl)c1	ZINC000012764982	845890612	/nfs/dbraw/zinc/89/06/12/845890612.db2.gz	ZKPVLGSDXKIZGE-NTUHNPAUSA-N	0	0	409.945	4.312	50	10		HICARN
CCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccccc3F)n2)SC1=S	ZINC000014165783	845928106	/nfs/dbraw/zinc/92/81/06/845928106.db2.gz	ZVCOXBORDLDEFZ-RIYZIHGNSA-N	0	0	407.517	4.188	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](c3noc(-c4ccncc4)n3)C2)cc1	ZINC000169773269	853661078	/nfs/dbraw/zinc/66/10/78/853661078.db2.gz	GVEVMSQAZGMOIS-HXUWFJFHSA-N	0	0	413.481	4.169	50	10		HICARN
COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1	ZINC000007496988	536705456	/nfs/dbraw/zinc/70/54/56/536705456.db2.gz	ROWLGOCDPSSQPA-FMIVXFBMSA-N	0	0	404.466	4.444	50	10		HICARN
COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc(N2CCOCC2)cc1	ZINC000000643241	132229757	/nfs/dbraw/zinc/22/97/57/132229757.db2.gz	NSDIROUXARWISH-XMMPIXPASA-N	0	0	415.493	4.303	50	10		HICARN
O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccc(Cl)cc1	ZINC000002348871	132253008	/nfs/dbraw/zinc/25/30/08/132253008.db2.gz	FSOQLUWQEFOLPN-AQTBWJFISA-N	0	0	401.894	4.272	50	10		HICARN
O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000004675158	132282108	/nfs/dbraw/zinc/28/21/08/132282108.db2.gz	MBDXPCPFUYJYRS-CPNJWEJPSA-N	0	0	414.914	4.413	50	10		HICARN
COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)C)c([N+](=O)[O-])c1	ZINC000004702262	132283870	/nfs/dbraw/zinc/28/38/70/132283870.db2.gz	IFRUJGFYVATBQT-QFIPXVFZSA-N	0	0	418.453	4.441	50	10		HICARN
CC(=O)OCCNc1cc(N2CCC[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000004961922	132297060	/nfs/dbraw/zinc/29/70/60/132297060.db2.gz	QWBXUMVLRGOHCJ-AWEZNQCLSA-N	0	0	419.481	4.251	50	10		HICARN
CCCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1	ZINC000012437040	132359958	/nfs/dbraw/zinc/35/99/58/132359958.db2.gz	LYCGUYJJSAHJBO-FXBPSFAMSA-N	0	0	407.539	4.268	50	10		HICARN
Cc1cc(NC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)n(-c2ccccc2)n1	ZINC000012567465	132364462	/nfs/dbraw/zinc/36/44/62/132364462.db2.gz	ZWQXJKANZBNAPW-UHFFFAOYSA-N	0	0	417.557	4.242	50	10		HICARN
CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)c(Cl)c3)C2=N)S1	ZINC000032964046	520901126	/nfs/dbraw/zinc/90/11/26/520901126.db2.gz	VVUCUXJHBVVDIX-XYPMFZOPSA-N	0	0	404.282	4.423	50	10		HICARN
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1C	ZINC000000977453	521802766	/nfs/dbraw/zinc/80/27/66/521802766.db2.gz	UOTODCZVOQQUCC-RCCKNPSSSA-N	0	0	413.477	4.323	50	10		HICARN
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)c2C)cc1Cl	ZINC000020236935	523310789	/nfs/dbraw/zinc/31/07/89/523310789.db2.gz	NQVZPYKRSRQFSE-IJTBWSOMSA-N	0	0	410.861	4.207	50	10		HICARN
COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1	ZINC000000832231	523884006	/nfs/dbraw/zinc/88/40/06/523884006.db2.gz	JOTUMEYSVRKOJD-UHFFFAOYSA-N	0	0	414.486	4.444	50	10		HICARN
Cc1c2cc(Cl)c([O-])c(C[NH2+]C[C@@H]3CCCO3)c2oc(=O)c1Cc1ccccc1	ZINC000020573413	525952410	/nfs/dbraw/zinc/95/24/10/525952410.db2.gz	IXDKAKGDHBBXQS-INIZCTEOSA-N	0	0	413.901	4.320	50	10		HICARN
Cc1ccc(C2=NC(=O)/C(=C3/C(=O)Nc4c3cc(C)cc4Br)S2)cc1	ZINC000000974043	557128600	/nfs/dbraw/zinc/12/86/00/557128600.db2.gz	FEFFSZZVHGPDQP-PEZBUJJGSA-N	0	0	413.296	4.449	50	10		HICARN
O=C(c1ccccc1Br)N1C(=O)/C(=C\c2ccccc2)SC1=S	ZINC000001027459	557145283	/nfs/dbraw/zinc/14/52/83/557145283.db2.gz	LNTCTZNIGBPGRU-GXDHUFHOSA-N	0	0	404.310	4.491	50	10		HICARN
CCc1ccccc1N1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)SC1=S	ZINC000001135945	557201045	/nfs/dbraw/zinc/20/10/45/557201045.db2.gz	HSYMOSUHOMAQOP-BOPFTXTBSA-N	0	0	401.509	4.378	50	10		HICARN
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1	ZINC000001186993	557234820	/nfs/dbraw/zinc/23/48/20/557234820.db2.gz	GLVPBVYUEBLSIF-JXAWBTAJSA-N	0	0	402.585	4.289	50	10		HICARN
O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(F)c(Cl)c1	ZINC000001191824	557236361	/nfs/dbraw/zinc/23/63/61/557236361.db2.gz	SVVNXLYQBSRXDD-OVCLIPMQSA-N	0	0	406.891	4.319	50	10		HICARN
CN1C(=O)/C(=C2\c3ccccc3N(Cc3ccccc3Cl)C2=O)SC1=S	ZINC000002672178	557366580	/nfs/dbraw/zinc/36/65/80/557366580.db2.gz	FAFLGAADXZEKHL-NXVVXOECSA-N	0	0	400.912	4.088	50	10		HICARN
COc1ccc(OCCCOc2ccccc2C=C2SC(=S)NC2=O)cc1	ZINC000002874045	557416181	/nfs/dbraw/zinc/41/61/81/557416181.db2.gz	BKYHHWKTGOFFBV-QGOAFFKASA-N	0	0	401.509	4.032	50	10		HICARN
COCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2F)SC1=S	ZINC000002968053	557432165	/nfs/dbraw/zinc/43/21/65/557432165.db2.gz	DGJKGBDPMZTEGY-PDGQHHTCSA-N	0	0	403.500	4.252	50	10		HICARN
CCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N([C@H](C)C(=O)OC)C3=O)c2C)cc1	ZINC000034795708	557471299	/nfs/dbraw/zinc/47/12/99/557471299.db2.gz	VOADTJKVEHXDNQ-VUFYJBQKSA-N	0	0	412.511	4.254	50	10		HICARN
O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1[N+](=O)[O-]	ZINC000004110598	557514483	/nfs/dbraw/zinc/51/44/83/557514483.db2.gz	ICGNRFIGLNACTQ-UHFFFAOYSA-N	0	0	423.410	4.031	50	10		HICARN
CCCC(=O)Nc1ccccc1C(=O)Oc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000004659160	557577044	/nfs/dbraw/zinc/57/70/44/557577044.db2.gz	YEJZKRHEFHRONM-UHFFFAOYSA-N	0	0	413.429	4.420	50	10		HICARN
CCCCC1(C)OC(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)C(=O)O1	ZINC000004671289	557579697	/nfs/dbraw/zinc/57/96/97/557579697.db2.gz	YIZQHAUJBNQGCK-UHFFFAOYSA-N	0	0	423.465	4.094	50	10		HICARN
CC(C)c1ccc(C(=O)Oc2ccc(/C=C3/C(=O)N=C4SC=NN4C3=N)cc2)cc1	ZINC000004673685	557579868	/nfs/dbraw/zinc/57/98/68/557579868.db2.gz	FTBXYYXQVHKCSI-ODXNEQJUSA-N	0	0	418.478	4.278	50	10		HICARN
COCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	ZINC000004791583	557598231	/nfs/dbraw/zinc/59/82/31/557598231.db2.gz	SJWIZDKCKORALY-LFIBNONCSA-N	0	0	404.469	4.093	50	10		HICARN
Cc1cc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1Cl	ZINC000005093627	557635128	/nfs/dbraw/zinc/63/51/28/557635128.db2.gz	XFMCFUVTESZXHP-UHFFFAOYSA-N	0	0	405.837	4.441	50	10		HICARN
Cc1ccc(-c2csc(SCC(=O)Nc3cc(=O)n(-c4ccccc4)[nH]3)n2)cc1	ZINC000008436820	557789177	/nfs/dbraw/zinc/78/91/77/557789177.db2.gz	GMYHDHPGWZCMMM-UHFFFAOYSA-N	0	0	422.535	4.077	50	10		HICARN
O=C1N=C(N2CCCC2)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000013514652	558536398	/nfs/dbraw/zinc/53/63/98/558536398.db2.gz	GZNLTLGGHIORPK-UYRXBGFRSA-N	0	0	409.467	4.240	50	10		HICARN
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C(=O)N1c1cccc(Cl)c1	ZINC000013582340	558545171	/nfs/dbraw/zinc/54/51/71/558545171.db2.gz	VVTBDKZUBGFWKV-NJDAHSKKSA-N	0	0	420.852	4.097	50	10		HICARN
O=C1/C(=C\c2cc3c4c(c2O)CCCN4CCC3)SC(=S)N1Cc1ccccc1	ZINC000013735962	558588597	/nfs/dbraw/zinc/58/85/97/558588597.db2.gz	HQBWGHPWXOELEN-CPNJWEJPSA-N	0	0	422.575	4.492	50	10		HICARN
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O)cc1	ZINC000013773673	558592147	/nfs/dbraw/zinc/59/21/47/558592147.db2.gz	GFXVDYKLXPHYHR-AQTBWJFISA-N	0	0	411.552	4.264	50	10		HICARN
O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000004473593	558599311	/nfs/dbraw/zinc/59/93/11/558599311.db2.gz	ZIADDFQZKHSGLZ-UHFFFAOYSA-N	0	0	413.458	4.069	50	10		HICARN
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000026687770	558664310	/nfs/dbraw/zinc/66/43/10/558664310.db2.gz	GVJAUTPQFNDWSU-LFIBNONCSA-N	0	0	408.401	4.268	50	10		HICARN
COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)c1O	ZINC000004556434	558725791	/nfs/dbraw/zinc/72/57/91/558725791.db2.gz	RRAKCUCBSPMMDC-OAQYLSRUSA-N	0	0	421.522	4.450	50	10		HICARN
COc1cccc(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c1	ZINC000015857292	558757212	/nfs/dbraw/zinc/75/72/12/558757212.db2.gz	BOKRUWVIVIWMNI-CPNJWEJPSA-N	0	0	415.536	4.374	50	10		HICARN
CC(C)CCn1c(CCCC(=O)NCc2ccc(N(C)C)cc2)nc2cccnc21	ZINC000033072428	558866743	/nfs/dbraw/zinc/86/67/43/558866743.db2.gz	SQAULHSXIFMZJJ-UHFFFAOYSA-N	0	0	407.562	4.183	50	10		HICARN
COc1cccc(CN(C)Cc2nnc(SCc3ccccc3Cl)n2C)c1O	ZINC000055358947	558879907	/nfs/dbraw/zinc/87/99/07/558879907.db2.gz	XMUYHURZMVCVMH-UHFFFAOYSA-N	0	0	418.950	4.107	50	10		HICARN
CCCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCC)C2=O)cc1OC	ZINC000004749835	559047473	/nfs/dbraw/zinc/04/74/73/559047473.db2.gz	PBPBQXIWZUFBPA-ATVHPVEESA-N	0	0	423.556	4.029	50	10		HICARN
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(O)c3)C2=O)cc1	ZINC000033317065	559055654	/nfs/dbraw/zinc/05/56/54/559055654.db2.gz	AKSSAECCIWADQL-PDGQHHTCSA-N	0	0	412.536	4.321	50	10		HICARN
COc1ccc(N2CCN(c3nc4ccc(C)cc4cc3-c3noc(C)n3)CC2)cc1	ZINC000033318198	559055826	/nfs/dbraw/zinc/05/58/26/559055826.db2.gz	FIHFFFFWKLSWMI-UHFFFAOYSA-N	0	0	415.497	4.237	50	10		HICARN
Cc1c(N(C)/N=N/c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000004772344	559057410	/nfs/dbraw/zinc/05/74/10/559057410.db2.gz	WKBADIWGFSZDKR-QZQOTICOSA-N	0	0	400.280	4.382	50	10		HICARN
CCCCN1C(=O)C(=CNc2ccc(Cl)cc2)C(=O)N(Cc2ccco2)C1=O	ZINC000100176296	559171988	/nfs/dbraw/zinc/17/19/88/559171988.db2.gz	QZCOFECTTSBTNJ-ATVHPVEESA-N	0	0	401.850	4.020	50	10		HICARN
CN(C)c1ccc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1	ZINC000033424245	559190659	/nfs/dbraw/zinc/19/06/59/559190659.db2.gz	DEKLNEGIJOLXJP-WQCWKDQBSA-N	0	0	409.902	4.073	50	10		HICARN
Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2N)c(C)n1-c1ccccc1	ZINC000033462720	559195444	/nfs/dbraw/zinc/19/54/44/559195444.db2.gz	NMVUQTGVXRYWRU-UHFFFAOYSA-N	0	0	421.501	4.181	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C(=N)N2O1	ZINC000004921788	559206838	/nfs/dbraw/zinc/20/68/38/559206838.db2.gz	WDHAAHJFNLLLPG-LWCDXBROSA-N	0	0	400.413	4.279	50	10		HICARN
O=C(CCCOC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1	ZINC000005452731	560589573	/nfs/dbraw/zinc/58/95/73/560589573.db2.gz	DKBOAAGLOZRCQR-UHFFFAOYSA-N	0	0	416.404	4.421	50	10		HICARN
Cc1cc(C(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1	ZINC000005656144	560636827	/nfs/dbraw/zinc/63/68/27/560636827.db2.gz	PTJJMGMXHQYMTJ-IBGZPJMESA-N	0	0	415.493	4.443	50	10		HICARN
CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cc4ccccc4)ccc3O)C2=N)S1	ZINC000018286671	560786374	/nfs/dbraw/zinc/78/63/74/560786374.db2.gz	ZHTWGHZRYXPKBG-GOIUDQGLSA-N	0	0	404.495	4.402	50	10		HICARN
O=C(C1=CN(c2ccc(F)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1	ZINC000049003933	568446637	/nfs/dbraw/zinc/44/66/37/568446637.db2.gz	GHMRJUNHRIWSLV-UHFFFAOYSA-N	0	0	420.893	4.258	50	10		HICARN
CC1=CSC2=NC(=O)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=N)N12	ZINC000049593208	568452457	/nfs/dbraw/zinc/45/24/57/568452457.db2.gz	ZBEBFQGGJUFFHF-FFJDBXNVSA-N	0	0	419.462	4.161	50	10		HICARN
COc1ccc2c3c(n(CCc4ccco4)c(=O)c2c1OC)-c1ccccc1C3=O	ZINC000604404934	568492552	/nfs/dbraw/zinc/49/25/52/568492552.db2.gz	MEJDFKANUOVFLG-UHFFFAOYSA-N	0	0	401.418	4.066	50	10		HICARN
COc1ccc(C(=O)N2N=C(c3ccc(O)c(OC)c3)C[C@@H]2c2cccs2)cc1	ZINC000095946335	568664086	/nfs/dbraw/zinc/66/40/86/568664086.db2.gz	SSKIPBJHXGESOE-GOSISDBHSA-N	0	0	408.479	4.462	50	10		HICARN
COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(OC)c2O)c(OC)c1	ZINC000021360399	568689998	/nfs/dbraw/zinc/68/99/98/568689998.db2.gz	JLKDYBYAZPOZEG-QFIPXVFZSA-N	0	0	406.438	4.189	50	10		HICARN
O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1	ZINC000000857525	568713126	/nfs/dbraw/zinc/71/31/26/568713126.db2.gz	OFVXOQSIFLKYLP-UHFFFAOYSA-N	0	0	403.228	4.463	50	10		HICARN
Cc1c(N2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C	ZINC000001009693	568762593	/nfs/dbraw/zinc/76/25/93/568762593.db2.gz	RALQROGOXLZPPK-QGOAFFKASA-N	0	0	421.547	4.199	50	10		HICARN
COC(=O)c1ccccc1NC(=O)CNc1cc2oc3ccccc3c2cc1OC	ZINC000012563226	568859210	/nfs/dbraw/zinc/85/92/10/568859210.db2.gz	UWWPMMXQDYXHBV-UHFFFAOYSA-N	0	0	404.422	4.432	50	10		HICARN
CCCc1c(C)c2ccc([O-])c(C[NH+]3CCN(c4ccc(F)cc4)CC3)c2oc1=O	ZINC000058104637	568886342	/nfs/dbraw/zinc/88/63/42/568886342.db2.gz	AVDIVCMKWLODAW-UHFFFAOYSA-N	0	0	410.489	4.221	50	10		HICARN
Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c(C)n1-c1ccc(F)cc1	ZINC000003428966	568901216	/nfs/dbraw/zinc/90/12/16/568901216.db2.gz	CRKIJTSBGQERDX-UHFFFAOYSA-N	0	0	401.825	4.077	50	10		HICARN
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1ccccc1	ZINC000001265333	568909351	/nfs/dbraw/zinc/90/93/51/568909351.db2.gz	WYYAJOKALWNNFG-VKAVYKQESA-N	0	0	416.593	4.088	50	10		HICARN
O=C(c1ccc(Cl)cc1)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S	ZINC000006471847	569031386	/nfs/dbraw/zinc/03/13/86/569031386.db2.gz	SBWHDNPIKXXOQS-NTEUORMPSA-N	0	0	404.856	4.290	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)OC(C)C)C2=O)ccc1O	ZINC000001786786	569053006	/nfs/dbraw/zinc/05/30/06/569053006.db2.gz	GYMNLFZOZYIHQC-ATVHPVEESA-N	0	0	423.556	4.114	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(O)c2)c1	ZINC000006721781	569099295	/nfs/dbraw/zinc/09/92/95/569099295.db2.gz	PJQUIGXNAARJKH-YADARESESA-N	0	0	418.449	4.357	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2cc(C)ccc2C)c(C)n1-c1ccc2c(c1)OCO2	ZINC000006830893	569147334	/nfs/dbraw/zinc/14/73/34/569147334.db2.gz	UTTBMCDSGWCMDN-UHFFFAOYSA-N	0	0	405.450	4.479	50	10		HICARN
O=C(NN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)SC1=S)c1ccccc1	ZINC000006927266	569183618	/nfs/dbraw/zinc/18/36/18/569183618.db2.gz	KLNKWMFENZROMB-GXDHUFHOSA-N	0	0	408.426	4.252	50	10		HICARN
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1cnns1	ZINC000170641974	569283305	/nfs/dbraw/zinc/28/33/05/569283305.db2.gz	QWVUEIGGEFSEFT-HNNXBMFYSA-N	0	0	406.433	4.463	50	10		HICARN
CCN1C(=O)/C(=C/c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S	ZINC000002205615	569296259	/nfs/dbraw/zinc/29/62/59/569296259.db2.gz	HIMNFVHZZODFKN-VBKFSLOCSA-N	0	0	423.519	4.016	50	10		HICARN
O=C(Nc1cc(NC(=O)[C@@H]2CCCO2)ccc1N=Nc1ccccc1)[C@H]1CCCO1	ZINC000252606005	569297501	/nfs/dbraw/zinc/29/75/01/569297501.db2.gz	GOOBZODYDNMMBG-VQTJNVASSA-N	0	0	408.458	4.337	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)cc1	ZINC000002305338	569372429	/nfs/dbraw/zinc/37/24/29/569372429.db2.gz	KDUGOAKYEPVHRV-BOPFTXTBSA-N	0	0	414.255	4.032	50	10		HICARN
Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S	ZINC000002450036	569402871	/nfs/dbraw/zinc/40/28/71/569402871.db2.gz	CFOVCBARVQEAAU-WQRHYEAKSA-N	0	0	407.520	4.033	50	10		HICARN
Oc1ccc(Cl)cc1C1=NN[C@H](c2cc(Br)cc3c2OCOC3)C1	ZINC000013124861	569409627	/nfs/dbraw/zinc/40/96/27/569409627.db2.gz	ZRBLHQJXXKLBFX-HNNXBMFYSA-N	0	0	409.667	4.113	50	10		HICARN
CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1	ZINC000039427795	571132142	/nfs/dbraw/zinc/13/21/42/571132142.db2.gz	LCFYSNIXRPPISZ-NRFANRHFSA-N	0	0	402.502	4.052	50	10		HICARN
COc1ccc(OC)c(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1	ZINC000040074791	571154700	/nfs/dbraw/zinc/15/47/00/571154700.db2.gz	TVCGCDZSSNFNDG-UHFFFAOYSA-N	0	0	408.454	4.135	50	10		HICARN
CC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21	ZINC000009012931	571210943	/nfs/dbraw/zinc/21/09/43/571210943.db2.gz	YTGOGNHLRUMMKG-RBZQAINGSA-N	0	0	420.468	4.198	50	10		HICARN
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@]3(C)C2=O)cc1	ZINC000245298194	571223588	/nfs/dbraw/zinc/22/35/88/571223588.db2.gz	YGVZHYKKKOYDPE-SLSDLSHTSA-N	0	0	414.461	4.142	50	10		HICARN
N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(c3cccnc3)=NN21	ZINC000009185534	571234944	/nfs/dbraw/zinc/23/49/44/571234944.db2.gz	YKVLKZWHLNFMOK-BWFWVIOXSA-N	0	0	417.425	4.148	50	10		HICARN
COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccc(OC)c(OC)c3)c2C)cc1	ZINC000009228636	571239400	/nfs/dbraw/zinc/23/94/00/571239400.db2.gz	SZSANMSUXVRPSP-UHFFFAOYSA-N	0	0	409.486	4.442	50	10		HICARN
CCOc1cc(N(C)CC(=O)Nc2ccccc2Cl)c([N+](=O)[O-])cc1OCC	ZINC000009377543	571253166	/nfs/dbraw/zinc/25/31/66/571253166.db2.gz	TWHOOVWASDYQBC-UHFFFAOYSA-N	0	0	407.854	4.121	50	10		HICARN
COc1ccc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)c(OC)c1	ZINC000009420457	571256942	/nfs/dbraw/zinc/25/69/42/571256942.db2.gz	AUMDQUKNXVVXGM-VXLYETTFSA-N	0	0	411.504	4.428	50	10		HICARN
COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C(F)(F)F)n3C)c2C)cc1	ZINC000009631787	571274729	/nfs/dbraw/zinc/27/47/29/571274729.db2.gz	WKGGXDZJMZIMHX-UHFFFAOYSA-N	0	0	424.448	4.225	50	10		HICARN
CCOc1ccc(-n2c(C)cc(C(=O)Cn3ncc(Cl)c(Cl)c3=O)c2C)cc1	ZINC000010211843	571296543	/nfs/dbraw/zinc/29/65/43/571296543.db2.gz	MVSBJRXBFDGFRX-UHFFFAOYSA-N	0	0	420.296	4.239	50	10		HICARN
CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)OC)cc3)cc2)SC1=S	ZINC000003361381	845013059	/nfs/dbraw/zinc/01/30/59/845013059.db2.gz	BHTQMIHXWOBABY-PDGQHHTCSA-N	0	0	413.520	4.273	50	10		HICARN
CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)OC)cc2)SC1=S	ZINC000003590765	845044112	/nfs/dbraw/zinc/04/41/12/845044112.db2.gz	YYOOWTYLFWSEDS-PDGQHHTCSA-N	0	0	413.520	4.273	50	10		HICARN
CC[C@@H](C1=NN2C(=NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=N)S1)c1ccccc1	ZINC000003890334	845044852	/nfs/dbraw/zinc/04/48/52/845044852.db2.gz	VEDKINURFJYOKL-LEBHYCKOSA-N	0	0	418.478	4.228	50	10		HICARN
Nc1c(C(=O)Nc2ccccc2)cc(Br)c2c1C(=O)c1ccccc1C2=O	ZINC000003879123	845045630	/nfs/dbraw/zinc/04/56/30/845045630.db2.gz	RKRDKQSYPVQSHT-UHFFFAOYSA-N	0	0	421.250	4.059	50	10		HICARN
Cc1cc(/C=C/C(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)n1-c1ccccc1	ZINC000008429488	845524492	/nfs/dbraw/zinc/52/44/92/845524492.db2.gz	QXRQJPXSSGMIMT-ZHACJKMWSA-N	0	0	419.550	4.153	50	10		HICARN
Cc1ccc(NC2=NC(=O)C(=Cc3ccccc3OCC(=O)N3CCCC3)S2)cc1	ZINC000012631971	845881323	/nfs/dbraw/zinc/88/13/23/845881323.db2.gz	LTGZRBRHARJRHQ-XSFVSMFZSA-N	0	0	421.522	4.079	50	10		HICARN
COc1ccc(C(=O)Nc2cccc(C=C3SC(NC4CCCC4)=NC3=O)c2)cc1	ZINC000096669668	852553720	/nfs/dbraw/zinc/55/37/20/852553720.db2.gz	QXGJZBQVVVDYLW-XSFVSMFZSA-N	0	0	421.522	4.450	50	10		HICARN
Cc1cc(-n2c(C)cc(C=C3NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)no1	ZINC000105556865	852713814	/nfs/dbraw/zinc/71/38/14/852713814.db2.gz	LZPFIEGBXUUXKO-WOJGMQOQSA-N	0	0	406.511	4.270	50	10		HICARN
CCCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1	ZINC000001801481	132247836	/nfs/dbraw/zinc/24/78/36/132247836.db2.gz	LYCGUYJJSAHJBO-HEHNFIMWSA-N	0	0	407.539	4.268	50	10		HICARN
Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)n1-c1ccccc1C	ZINC000006257001	132310026	/nfs/dbraw/zinc/31/00/26/132310026.db2.gz	IMZYWIBLKVAMFZ-UHFFFAOYSA-N	0	0	418.497	4.273	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)CC2)cc1	ZINC000006623601	132312198	/nfs/dbraw/zinc/31/21/98/132312198.db2.gz	FGDXEZHCBWFNOM-UHFFFAOYSA-N	0	0	424.932	4.114	50	10		HICARN
Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@@H](c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000015413413	132461657	/nfs/dbraw/zinc/46/16/57/132461657.db2.gz	SQKZCYUNHNZCGU-VWLOTQADSA-N	0	0	413.521	4.491	50	10		HICARN
COc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2Cc2ccco2)cc1	ZINC000044086163	523148872	/nfs/dbraw/zinc/14/88/72/523148872.db2.gz	WXTXDDCKSJAJMN-UHFFFAOYSA-N	0	0	411.527	4.305	50	10		HICARN
COc1ccc(N2CCN(C(=O)CCCOc3cccc4ccccc43)CC2)cc1	ZINC000032930035	524408705	/nfs/dbraw/zinc/40/87/05/524408705.db2.gz	DROXNOZMWQNLPD-UHFFFAOYSA-N	0	0	404.510	4.356	50	10		HICARN
O=C(c1ccc(Br)cc1)N1C(=O)/C(=C\c2ccccc2)SC1=S	ZINC000032222733	526661222	/nfs/dbraw/zinc/66/12/22/526661222.db2.gz	WHIDKSGHOMBJCX-GXDHUFHOSA-N	0	0	404.310	4.491	50	10		HICARN
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)S1	ZINC000001128234	557196686	/nfs/dbraw/zinc/19/66/86/557196686.db2.gz	NRCPMKYGISWZGM-MFOYZWKCSA-N	0	0	404.850	4.165	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1OC	ZINC000001160163	557217593	/nfs/dbraw/zinc/21/75/93/557217593.db2.gz	DSDFIZGBBAPFAQ-WJDWOHSUSA-N	0	0	401.509	4.427	50	10		HICARN
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1	ZINC000001183600	557232327	/nfs/dbraw/zinc/23/23/27/557232327.db2.gz	KHQDGDMVFGTXLC-QGOAFFKASA-N	0	0	412.536	4.321	50	10		HICARN
CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)C3=C1SC(=S)NC1=O	ZINC000001421882	557260453	/nfs/dbraw/zinc/26/04/53/557260453.db2.gz	GGUKORRAAAWTGU-RIXQQTFQSA-N	0	0	420.559	4.381	50	10		HICARN
Cc1cccc(Oc2nc(N3CCCC3)nc3c2CN(Cc2ccccc2O)CC3)c1	ZINC000034755949	557458289	/nfs/dbraw/zinc/45/82/89/557458289.db2.gz	IYYNRDJIPMIKFM-UHFFFAOYSA-N	0	0	416.525	4.441	50	10		HICARN
CCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N([C@@H](C)C(=O)OC)C3=O)c2C)cc1	ZINC000034795706	557471294	/nfs/dbraw/zinc/47/12/94/557471294.db2.gz	VOADTJKVEHXDNQ-CCRNYGKSSA-N	0	0	412.511	4.254	50	10		HICARN
CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)CC1	ZINC000004545582	557565497	/nfs/dbraw/zinc/56/54/97/557565497.db2.gz	ZQUUUIWNRFTDBO-NBVRZTHBSA-N	0	0	400.544	4.230	50	10		HICARN
CC[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S	ZINC000004754710	557593280	/nfs/dbraw/zinc/59/32/80/557593280.db2.gz	LQWHBOYPKXABON-SOGDLCAJSA-N	0	0	402.585	4.377	50	10		HICARN
CC[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S	ZINC000004754711	557593305	/nfs/dbraw/zinc/59/33/05/557593305.db2.gz	LQWHBOYPKXABON-AATZCTEQSA-N	0	0	402.585	4.377	50	10		HICARN
CCOc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1	ZINC000005101375	557635512	/nfs/dbraw/zinc/63/55/12/557635512.db2.gz	XGOMCFCQVYXSQM-LDADJPATSA-N	0	0	412.536	4.234	50	10		HICARN
CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1	ZINC000006719106	557716955	/nfs/dbraw/zinc/71/69/55/557716955.db2.gz	GCRQBEYROUHCFD-JOCHJYFZSA-N	0	0	416.529	4.360	50	10		HICARN
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	ZINC000008386757	557785373	/nfs/dbraw/zinc/78/53/73/557785373.db2.gz	CSYNWTYIMZLKLF-XSFVSMFZSA-N	0	0	414.377	4.338	50	10		HICARN
CC(C)Oc1ccccc1/C=C1/SC(N2CCN(Cc3ccccc3)CC2)=NC1=O	ZINC000020329408	558355924	/nfs/dbraw/zinc/35/59/24/558355924.db2.gz	LTKXAICDLHYLMT-CJLVFECKSA-N	0	0	421.566	4.262	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3ccc4nc(C(F)(F)F)sc4c3)CC2)cc1	ZINC000020426825	558362564	/nfs/dbraw/zinc/36/25/64/558362564.db2.gz	OCVBBKBQSVWESQ-UHFFFAOYSA-N	0	0	421.444	4.286	50	10		HICARN
COc1ccc(C[NH2+]Cc2c([O-])c(Cl)cc3c(C)c(C)c(=O)oc32)c(OC)c1	ZINC000020588685	558385928	/nfs/dbraw/zinc/38/59/28/558385928.db2.gz	MTLWKEKPMNCWFI-UHFFFAOYSA-N	0	0	403.862	4.076	50	10		HICARN
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1	ZINC000013060540	558509691	/nfs/dbraw/zinc/50/96/91/558509691.db2.gz	OLFAKKHIXDORCS-PGMHBOJBSA-N	0	0	418.474	4.260	50	10		HICARN
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1	ZINC000013562481	558540540	/nfs/dbraw/zinc/54/05/40/558540540.db2.gz	YFMKQZOATVNYPB-STZFKDTASA-N	0	0	419.477	4.357	50	10		HICARN
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	ZINC000013617201	558549845	/nfs/dbraw/zinc/54/98/45/558549845.db2.gz	TUDCECWBBKFZNG-ZDLGFXPLSA-N	0	0	401.509	4.114	50	10		HICARN
COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2ccc(OC)cc2)C1=O	ZINC000013691895	558573610	/nfs/dbraw/zinc/57/36/10/558573610.db2.gz	OCGNOKCMEKBSRA-GZTJUZNOSA-N	0	0	424.503	4.369	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C(=N)N2O1	ZINC000013815423	558596131	/nfs/dbraw/zinc/59/61/31/558596131.db2.gz	GEKCMWYSFGJMBM-VASVRFFCSA-N	0	0	412.449	4.171	50	10		HICARN
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1C	ZINC000013942379	558604901	/nfs/dbraw/zinc/60/49/01/558604901.db2.gz	DTRXDIBAHBAXQZ-CPNJWEJPSA-N	0	0	415.536	4.292	50	10		HICARN
CCc1cccc2c(C3=CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)c[nH]c21	ZINC000014246134	558647019	/nfs/dbraw/zinc/64/70/19/558647019.db2.gz	WYYDCQIDDLBQMP-UHFFFAOYSA-N	0	0	412.419	4.481	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)cc1	ZINC000014406019	558654327	/nfs/dbraw/zinc/65/43/27/558654327.db2.gz	LGIGTQCIHYXSOV-JOCHJYFZSA-N	0	0	402.473	4.486	50	10		HICARN
CCCOc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1	ZINC000027019184	558668510	/nfs/dbraw/zinc/66/85/10/558668510.db2.gz	FMQKYIMBYRTGAZ-XLNRJJMWSA-N	0	0	421.566	4.264	50	10		HICARN
CCOc1cc(Br)cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c1O	ZINC000015011089	558700302	/nfs/dbraw/zinc/70/03/02/558700302.db2.gz	WLESDZPNXLAFBD-MLPAPPSSSA-N	0	0	416.362	4.411	50	10		HICARN
CCN(CC)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1	ZINC000015015241	558701679	/nfs/dbraw/zinc/70/16/79/558701679.db2.gz	DQOUEARQFXLKAG-JXAWBTAJSA-N	0	0	411.552	4.079	50	10		HICARN
CN(C)c1ccc(CNC(=O)N(C)Cc2ccc(Br)s2)cc1F	ZINC000060588873	558915911	/nfs/dbraw/zinc/91/59/11/558915911.db2.gz	JWHWBGIUPZUGOO-UHFFFAOYSA-N	0	0	400.317	4.057	50	10		HICARN
CCN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000004745609	559046516	/nfs/dbraw/zinc/04/65/16/559046516.db2.gz	HQMVEBKOYYJGFY-NBVRZTHBSA-N	0	0	414.552	4.310	50	10		HICARN
CSC1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=N)N12	ZINC000004761563	559053446	/nfs/dbraw/zinc/05/34/46/559053446.db2.gz	JYZWLVUHBUJKSV-QNMDCZIWSA-N	0	0	409.540	4.342	50	10		HICARN
CN(C)c1nccnc1-c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1	ZINC000033313033	559055076	/nfs/dbraw/zinc/05/50/76/559055076.db2.gz	PSNCORZWMZLRPG-UHFFFAOYSA-N	0	0	415.541	4.130	50	10		HICARN
COc1ccc(/C=C2\C(C)=NN(c3ccc(C(=O)OC(C)C)cc3)C2=O)cc1OC	ZINC000033334153	559063127	/nfs/dbraw/zinc/06/31/27/559063127.db2.gz	WLZSEBRGMZQGCX-XDHOZWIPSA-N	0	0	408.454	4.075	50	10		HICARN
CC1CCN(C(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1	ZINC000004837237	559166340	/nfs/dbraw/zinc/16/63/40/559166340.db2.gz	JCXYYUPJCWUNCT-VBKFSLOCSA-N	0	0	408.976	4.190	50	10		HICARN
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=CNCc1ccc(OC)cc1	ZINC000100163405	559167374	/nfs/dbraw/zinc/16/73/74/559167374.db2.gz	UEKCJWJSTHZSJJ-SAPNQHFASA-N	0	0	406.511	4.481	50	10		HICARN
CSC1=NSC2=NC(=O)/C(=C\c3cccn3-c3cccc(Cl)c3)C(=N)N12	ZINC000004909260	559201375	/nfs/dbraw/zinc/20/13/75/559201375.db2.gz	UMGVWLNMSQGGMX-KWWXOIQGSA-N	0	0	401.904	4.070	50	10		HICARN
COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1cccc(C)c1	ZINC000005013620	559228219	/nfs/dbraw/zinc/22/82/19/559228219.db2.gz	RGYJPOLCZCYXSX-DGOGAKRRSA-N	0	0	403.438	4.033	50	10		HICARN
COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1	ZINC000005098629	559244498	/nfs/dbraw/zinc/24/44/98/559244498.db2.gz	MPVFIVSHBLAJPI-VWLOTQADSA-N	0	0	415.537	4.295	50	10		HICARN
CCCCCCN1C(=O)/C(=C\c2ccc(N3CCCCCC3)cc2)C(=O)NC1=S	ZINC000005177198	559288944	/nfs/dbraw/zinc/28/89/44/559288944.db2.gz	GBDRURYUEYYUPK-JZJYNLBNSA-N	0	0	413.587	4.274	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4OC)c3C)C2=N)S1	ZINC000005516594	560604529	/nfs/dbraw/zinc/60/45/29/560604529.db2.gz	OKOMJXZZXFDCAA-YPCMJIQLSA-N	0	0	421.526	4.440	50	10		HICARN
COC(=O)/C=C\c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1	ZINC000105298133	560869360	/nfs/dbraw/zinc/86/93/60/560869360.db2.gz	GPDWVCUJXTVNFK-TWVNLXSWSA-N	0	0	424.453	4.284	50	10		HICARN
Cc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(F)cc32)cc1Cl	ZINC000048989071	568444183	/nfs/dbraw/zinc/44/41/83/568444183.db2.gz	DVEVXVOSGOGSEW-UHFFFAOYSA-N	0	0	420.893	4.177	50	10		HICARN
O=C(C1=CN(c2cccc(F)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1	ZINC000048990196	568444247	/nfs/dbraw/zinc/44/42/47/568444247.db2.gz	DHEAPSWXMUPBNZ-UHFFFAOYSA-N	0	0	420.893	4.258	50	10		HICARN
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1[C@@H](C)CCC[C@@H]1C	ZINC000024874716	568474202	/nfs/dbraw/zinc/47/42/02/568474202.db2.gz	KIYKRTPVGLKVEM-HOTGVXAUSA-N	0	0	415.559	4.223	50	10		HICARN
O=C(c1ccsc1)c1coc2ccc(O)c(CN3CCN(CC(F)(F)F)CC3)c12	ZINC000218602085	568482421	/nfs/dbraw/zinc/48/24/21/568482421.db2.gz	QLXMVOQXLMJXIB-UHFFFAOYSA-N	0	0	424.444	4.111	50	10		HICARN
COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(C)C1=O	ZINC000033286130	568513548	/nfs/dbraw/zinc/51/35/48/568513548.db2.gz	FMXHAXJQTMQCFU-WTKPLQERSA-N	0	0	423.151	4.051	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4c(C)cccc4C)cc3)C(=N)N2O1	ZINC000020236187	568595721	/nfs/dbraw/zinc/59/57/21/568595721.db2.gz	YADUCDUDNPAURI-VASVRFFCSA-N	0	0	417.465	4.212	50	10		HICARN
CC[C@@H](C)N1C(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC1=S	ZINC000020310813	568598602	/nfs/dbraw/zinc/59/86/02/568598602.db2.gz	IPWUQEQEXLYLPZ-VVTMIQRTSA-N	0	0	413.568	4.071	50	10		HICARN
Cc1ccc(NC(=O)[C@@H](C)N2CCOc3cc(N(C)C)ccc32)c(Br)c1	ZINC000095446819	568612279	/nfs/dbraw/zinc/61/22/79/568612279.db2.gz	GUFNJYYVQNXBSD-CQSZACIVSA-N	0	0	418.335	4.050	50	10		HICARN
COc1ccc(-n2c(C)cc(CNS(=O)(=O)c3ccc(Cl)s3)c2C)cc1	ZINC000021044903	568660167	/nfs/dbraw/zinc/66/01/67/568660167.db2.gz	JHFINFSCDHMAPA-UHFFFAOYSA-N	0	0	410.948	4.296	50	10		HICARN
COc1ccc(C(=O)Nc2cccc(/C=C3/SC(N4CCCCC4)=NC3=O)c2)cc1	ZINC000096297666	568722451	/nfs/dbraw/zinc/72/24/51/568722451.db2.gz	IMHQOZHMSNNLSR-HMMYKYKNSA-N	0	0	421.522	4.404	50	10		HICARN
Cc1nc[nH]c1CSCCNC(=O)c1ccc2nc(Cc3ccccc3)oc2c1	ZINC000096358922	568738862	/nfs/dbraw/zinc/73/88/62/568738862.db2.gz	GAEGECYZVRLKGW-UHFFFAOYSA-N	0	0	406.511	4.113	50	10		HICARN
Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c(C)n1-c1ccccc1F	ZINC000025467994	568771893	/nfs/dbraw/zinc/77/18/93/568771893.db2.gz	XYDLZLTXBRXZTA-UHFFFAOYSA-N	0	0	420.488	4.185	50	10		HICARN
CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@H]3C2=O)cc1	ZINC000230033816	568803085	/nfs/dbraw/zinc/80/30/85/568803085.db2.gz	NVMAYDQLCQMJDL-YTFSRNRJSA-N	0	0	414.461	4.006	50	10		HICARN
CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=N)S1	ZINC000005950994	568832044	/nfs/dbraw/zinc/83/20/44/568832044.db2.gz	DUVRZUSZKNWSEW-IUUVDYQKSA-N	0	0	409.427	4.274	50	10		HICARN
Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1-c1ccc2c(c1)OCCO2	ZINC000012544032	568849276	/nfs/dbraw/zinc/84/92/76/568849276.db2.gz	BXFVJHGTVUUQAC-UHFFFAOYSA-N	0	0	411.483	4.101	50	10		HICARN
COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1	ZINC000057547841	568852824	/nfs/dbraw/zinc/85/28/24/568852824.db2.gz	NPMWPUQBJSCNAS-CQSZACIVSA-N	0	0	408.329	4.151	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1	ZINC000012554661	568855035	/nfs/dbraw/zinc/85/50/35/568855035.db2.gz	CKJVHXSHALQYCL-UHFFFAOYSA-N	0	0	402.903	4.403	50	10		HICARN
Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1-c1ccc(Cl)c(Cl)c1	ZINC000003287683	568872680	/nfs/dbraw/zinc/87/26/80/568872680.db2.gz	XUPXHWPLEJRDCS-UHFFFAOYSA-N	0	0	423.325	4.041	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)c(C)n1-c1ccccc1F	ZINC000003337038	568883020	/nfs/dbraw/zinc/88/30/20/568883020.db2.gz	WHIUNZLLZMQMMU-UHFFFAOYSA-N	0	0	419.408	4.379	50	10		HICARN
Cn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1O	ZINC000001243633	568908409	/nfs/dbraw/zinc/90/84/09/568908409.db2.gz	XWPANKRJPQQPMU-UHFFFAOYSA-N	0	0	411.097	4.416	50	10		HICARN
COc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	ZINC000001255199	568908936	/nfs/dbraw/zinc/90/89/36/568908936.db2.gz	HDCNKWLTFRHVMP-VBKFSLOCSA-N	0	0	418.565	4.377	50	10		HICARN
C[NH+](C)Cc1c([O-])ccc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C(F)(F)F)oc21	ZINC000001277633	568909964	/nfs/dbraw/zinc/90/99/64/568909964.db2.gz	RKPDCJVPGCOVNU-UHFFFAOYSA-N	0	0	421.371	4.017	50	10		HICARN
O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2cccc(Br)c2)C1=O	ZINC000001300963	568913229	/nfs/dbraw/zinc/91/32/29/568913229.db2.gz	IXKHDYNHSBGDEQ-YPKPFQOOSA-N	0	0	417.309	4.177	50	10		HICARN
CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O	ZINC000001416570	568933838	/nfs/dbraw/zinc/93/38/38/568933838.db2.gz	RUFBQDCXYIMZJZ-RAOBZKRQSA-N	0	0	412.536	4.410	50	10		HICARN
CCCCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1OC	ZINC000004037106	568935579	/nfs/dbraw/zinc/93/55/79/568935579.db2.gz	PUWBJHREYORWHL-ATVHPVEESA-N	0	0	423.556	4.029	50	10	biogenic	HICARN
COc1ccc(-c2cc3ccc([O-])c(C[N@@H+]4CCC[C@H](C)C4)c3oc2=O)c(OC)c1	ZINC000004084766	568939893	/nfs/dbraw/zinc/93/98/93/568939893.db2.gz	NTPUMNWZUGNZKA-HNNXBMFYSA-N	0	0	409.482	4.415	50	10	biogenic	HICARN
COc1ccc(OC)c(-c2cc3ccc([O-])c(C[N@@H+]4CCC[C@H](C)C4)c3oc2=O)c1	ZINC000004084801	568939918	/nfs/dbraw/zinc/93/99/18/568939918.db2.gz	LKFROINAGXQJQQ-HNNXBMFYSA-N	0	0	409.482	4.415	50	10	biogenic	HICARN
CCN(C)c1cccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)c1	ZINC000084760935	568958424	/nfs/dbraw/zinc/95/84/24/568958424.db2.gz	PUTGYLXRLMXEIS-UHFFFAOYSA-N	0	0	404.514	4.221	50	10		HICARN
C[C@@H]1Cc2cc(-c3csc(-c4ccc(N(C)C)cc4)n3)ccc2N1S(C)(=O)=O	ZINC000008042142	568970566	/nfs/dbraw/zinc/97/05/66/568970566.db2.gz	SWWOLTMILIUZNF-CQSZACIVSA-N	0	0	413.568	4.254	50	10		HICARN
O=C(OC/C=C/c1ccccc1)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	ZINC000006428511	569024908	/nfs/dbraw/zinc/02/49/08/569024908.db2.gz	WWBZNWOXBAQALO-RMKNXTFCSA-N	0	0	413.385	4.240	50	10		HICARN
COc1ccc(N2CCN(Cc3cc(=O)oc4cc5c(cc34)CCCC5)CC2)cc1	ZINC000054105918	569057460	/nfs/dbraw/zinc/05/74/60/569057460.db2.gz	ORHIKFUAOKOCGR-UHFFFAOYSA-N	0	0	404.510	4.003	50	10		HICARN
Cc1cc(C(=O)COc2ccc(-n3ccnc3)cc2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000006651166	569082177	/nfs/dbraw/zinc/08/21/77/569082177.db2.gz	ZUYWKIXUKVUFHA-UHFFFAOYSA-N	0	0	415.449	4.270	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccnc2)c1	ZINC000006721809	569099392	/nfs/dbraw/zinc/09/93/92/569099392.db2.gz	WKSDBLBRXRREHS-WMZHIEFXSA-N	0	0	403.438	4.047	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3cc4occc4n3Cc3ccccc3)CC2)cc1	ZINC000036360824	569151999	/nfs/dbraw/zinc/15/19/99/569151999.db2.gz	FOBAMJRHRNXLGN-UHFFFAOYSA-N	0	0	415.493	4.254	50	10		HICARN
CCOC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@H](c1ccccc1O)N2	ZINC000065297870	569219065	/nfs/dbraw/zinc/21/90/65/569219065.db2.gz	UDCMUCOXBZNAOI-OAQYLSRUSA-N	0	0	407.514	4.173	50	10		HICARN
Cc1cc(C(=O)CSc2ccc(C)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000007180663	569227524	/nfs/dbraw/zinc/22/75/24/569227524.db2.gz	YZJBSLDNBCHCTK-UHFFFAOYSA-N	0	0	414.552	4.025	50	10		HICARN
CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1ncc(-c2ccccc2)n1C	ZINC000036778949	569227973	/nfs/dbraw/zinc/22/79/73/569227973.db2.gz	OJVCPLXDCPLLTL-UHFFFAOYSA-N	0	0	417.481	4.439	50	10		HICARN
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1C(F)(F)F	ZINC000089787908	569264517	/nfs/dbraw/zinc/26/45/17/569264517.db2.gz	FVECAGRRLSPAAB-UHFFFAOYSA-N	0	0	418.868	4.438	50	10		HICARN
Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1Cc1ccccc1)C(=O)N2C	ZINC000016850473	569265921	/nfs/dbraw/zinc/26/59/21/569265921.db2.gz	UJCCEYNLGNYXID-QNGOZBTKSA-N	0	0	407.473	4.270	50	10		HICARN
O=C(c1ccc(Br)o1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O	ZINC000089813395	569266381	/nfs/dbraw/zinc/26/63/81/569266381.db2.gz	BWFLLUCXBUOJOP-CYBMUJFWSA-N	0	0	401.216	4.332	50	10		HICARN
CC(NCc1ccco1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	ZINC000005014318	569323422	/nfs/dbraw/zinc/32/34/22/569323422.db2.gz	JZRCUXFUFIWVCD-GXDHUFHOSA-N	0	0	406.389	4.218	50	10		HICARN
COc1ccc(N2CCN(c3nccn4nc(-c5ccc(C)cc5C)cc34)CC2)cc1	ZINC000067285120	571063937	/nfs/dbraw/zinc/06/39/37/571063937.db2.gz	GQHYBUOPWSBNSD-UHFFFAOYSA-N	0	0	413.525	4.348	50	10		HICARN
O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000009057649	571216875	/nfs/dbraw/zinc/21/68/75/571216875.db2.gz	HSEINUAAQBBEGI-LFYBBSHMSA-N	0	0	416.183	4.067	50	10		HICARN
COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccc4c(c3)OCCO4)c2C)cc1	ZINC000009228665	571239395	/nfs/dbraw/zinc/23/93/95/571239395.db2.gz	QJESVFFCMFIVSB-UHFFFAOYSA-N	0	0	407.470	4.196	50	10		HICARN
O=C(COc1ccc(F)c(Cl)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000009721409	571281782	/nfs/dbraw/zinc/28/17/82/571281782.db2.gz	GGMYVLRDVAWCLK-UHFFFAOYSA-N	0	0	409.800	4.272	50	10		HICARN
Cc1csc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1	ZINC000008914134	571309623	/nfs/dbraw/zinc/30/96/23/571309623.db2.gz	HVWJEAWEQGBVLH-XYOKQWHBSA-N	0	0	409.583	4.133	50	10		HICARN
CC1=CSC2=NC(=O)/C(=C/c3cccc(OC(=O)c4ccccc4F)c3)C(=N)N12	ZINC000004906310	845071221	/nfs/dbraw/zinc/07/12/21/845071221.db2.gz	SFKONSATPNWPQG-XVDLVXLGSA-N	0	0	407.426	4.212	50	10		HICARN
CCN(CC)c1ccc(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1	ZINC000007367899	845317108	/nfs/dbraw/zinc/31/71/08/845317108.db2.gz	DHSQTHWARFEDSF-PGMHBOJBSA-N	0	0	403.482	4.004	50	10		HICARN
CCOc1cc(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1O	ZINC000016156132	846131763	/nfs/dbraw/zinc/13/17/63/846131763.db2.gz	NEUCAKQINGVMFH-YBEGLDIGSA-N	0	0	401.260	4.360	50	10		HICARN
COc1cc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)ccc1OCCC(C)C	ZINC000033704597	848138254	/nfs/dbraw/zinc/13/82/54/848138254.db2.gz	DJCRMLYXXYCYKK-LIEIOVMRSA-N	0	0	418.559	4.200	50	10		HICARN
O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCN(C(=O)c2ccccc2)CC1	ZINC000096879158	852557032	/nfs/dbraw/zinc/55/70/32/852557032.db2.gz	WRKZAQSLEZVVOR-QINSGFPZSA-N	0	0	417.553	4.065	50	10		HICARN
O=C1S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccc(F)cc1	ZINC000004741017	132286719	/nfs/dbraw/zinc/28/67/19/132286719.db2.gz	FHUIUDPMXPQKGM-UNOMPAQXSA-N	0	0	416.449	4.038	50	10		HICARN
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCCc2ccccc21	ZINC000004745572	132287074	/nfs/dbraw/zinc/28/70/74/132287074.db2.gz	PLDQISKKSMHTRV-NBVRZTHBSA-N	0	0	412.536	4.240	50	10		HICARN
C[C@@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)c3c4c2noc4-c2ccccc2C3=O)C1	ZINC000006737872	132314051	/nfs/dbraw/zinc/31/40/51/132314051.db2.gz	MKRZOMSWVXZDTQ-HZPDHXFCSA-N	0	0	417.509	4.358	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)cc1	ZINC000006785820	132316495	/nfs/dbraw/zinc/31/64/95/132316495.db2.gz	AVHSUBVCFTXXGK-UHFFFAOYSA-N	0	0	402.494	4.237	50	10		HICARN
CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c1O	ZINC000012608468	132365224	/nfs/dbraw/zinc/36/52/24/132365224.db2.gz	WMSFLTCWRBLXKL-QHCPKHFHSA-N	0	0	418.449	4.333	50	10		HICARN
CCN1C(=O)/C(=C/C(CCC(=O)OC)=C2\Sc3ccccc3N2C)SC1=S	ZINC000019811005	521508979	/nfs/dbraw/zinc/50/89/79/521508979.db2.gz	XOKCYGFHRDOMSL-BRRADNGLSA-N	0	0	420.581	4.157	50	10		HICARN
Cc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1C	ZINC000044169811	524934822	/nfs/dbraw/zinc/93/48/22/524934822.db2.gz	HJWKDFQIWVTOHU-UHFFFAOYSA-N	0	0	410.539	4.329	50	10		HICARN
Cc1cc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c(C)n1-c1ccccc1F	ZINC000032906407	526264611	/nfs/dbraw/zinc/26/46/11/526264611.db2.gz	UUNMBKZERZHHNP-UHFFFAOYSA-N	0	0	419.500	4.268	50	10		HICARN
COc1ccc(N2CCN(C(=O)/C=C/c3ccc(OC)c4ccccc34)CC2)cc1	ZINC000002546453	536675752	/nfs/dbraw/zinc/67/57/52/536675752.db2.gz	NUDCZHXRUMCEBA-RIYZIHGNSA-N	0	0	402.494	4.219	50	10		HICARN
COc1ccc(CN2C(=O)/C(=C3/C(=O)Nc4ccc(Cl)cc43)SC2=S)cc1	ZINC000002295337	557335066	/nfs/dbraw/zinc/33/50/66/557335066.db2.gz	VMIOEIMXGZHFTO-NXVVXOECSA-N	0	0	416.911	4.072	50	10		HICARN
COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1	ZINC000002305687	557335892	/nfs/dbraw/zinc/33/58/92/557335892.db2.gz	LCTPBDXXCPVZCL-QGOAFFKASA-N	0	0	412.536	4.234	50	10		HICARN
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N=C4SC(C(C)C)=NN4C3=N)o2)cc1	ZINC000003864081	557501356	/nfs/dbraw/zinc/50/13/56/557501356.db2.gz	WPYLIEXTYABALV-QNPDVEALSA-N	0	0	422.466	4.008	50	10		HICARN
CC1=NN(c2nc(-c3ccccc3O)cs2)C(=O)/C1=C/c1ccc(N(C)C)cc1	ZINC000003864244	557501645	/nfs/dbraw/zinc/50/16/45/557501645.db2.gz	MOUHPFFFDMMMDW-LDADJPATSA-N	0	0	404.495	4.388	50	10		HICARN
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=CNC2CCCCC2)cc1	ZINC000004756208	557594215	/nfs/dbraw/zinc/59/42/15/557594215.db2.gz	SVTXZXKXNAIFDX-QNGOZBTKSA-N	0	0	420.469	4.161	50	10		HICARN
CCN1C(=O)/C(=C\c2ccc(OCCOc3cccc(OC)c3)cc2)SC1=S	ZINC000005111966	557637071	/nfs/dbraw/zinc/63/70/71/557637071.db2.gz	IZPHTBLCEBLVMU-CPNJWEJPSA-N	0	0	415.536	4.374	50	10		HICARN
COCCCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S	ZINC000002289268	557684112	/nfs/dbraw/zinc/68/41/12/557684112.db2.gz	HSKDHMWRCCZTEA-WJDWOHSUSA-N	0	0	404.469	4.093	50	10		HICARN
N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC=C(c3ccc(F)cc3)N21	ZINC000008495827	557793446	/nfs/dbraw/zinc/79/34/46/557793446.db2.gz	GYUKBQISRBTAQA-AYYHGXMZSA-N	0	0	418.247	4.485	50	10		HICARN
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3ccccc3)on2)cc1	ZINC000021785966	558448649	/nfs/dbraw/zinc/44/86/49/558448649.db2.gz	OJRUVZVBAXHTPH-NRFANRHFSA-N	0	0	405.498	4.229	50	10		HICARN
COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1	ZINC000013786244	558593345	/nfs/dbraw/zinc/59/33/45/558593345.db2.gz	FQLHXHUBHLOVLW-NTIJCTKGSA-N	0	0	411.504	4.145	50	10		HICARN
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(F)c3)C2=O)cc1	ZINC000013802157	558594791	/nfs/dbraw/zinc/59/47/91/558594791.db2.gz	XIPLFXJUUPWKSS-BOPFTXTBSA-N	0	0	400.500	4.364	50	10		HICARN
CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1	ZINC000013810600	558595512	/nfs/dbraw/zinc/59/55/12/558595512.db2.gz	UUOMTVQIDZJSBO-LFIBNONCSA-N	0	0	418.927	4.285	50	10		HICARN
N=C1/C(=C\c2c[nH]c3ccccc23)C(=O)N=C2SC(c3ccccc3Cl)=NN21	ZINC000013942803	558605209	/nfs/dbraw/zinc/60/52/09/558605209.db2.gz	WIZXSAWEOQKDHG-BQLOJNAPSA-N	0	0	405.870	4.489	50	10		HICARN
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	ZINC000014010562	558613229	/nfs/dbraw/zinc/61/32/29/558613229.db2.gz	BBHIUHKZMUPUJQ-XKZIYDEJSA-N	0	0	422.525	4.431	50	10		HICARN
C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)C[C@@H](C)O1	ZINC000004557526	558724125	/nfs/dbraw/zinc/72/41/25/558724125.db2.gz	SOJZAOVYKAZTPV-XXXRSFMGSA-N	0	0	408.523	4.345	50	10		HICARN
O=C(c1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S	ZINC000003087155	558747995	/nfs/dbraw/zinc/74/79/95/558747995.db2.gz	OURHESQJOJZPRC-NTEUORMPSA-N	0	0	404.856	4.290	50	10		HICARN
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCCCC3)C2=O)cc1	ZINC000015799976	558753755	/nfs/dbraw/zinc/75/37/55/558753755.db2.gz	QXIZMGPBLJXIHL-OBGWFSINSA-N	0	0	402.585	4.243	50	10		HICARN
CCOC(=O)N1CCC2(CC1)N=C(c1ccc(F)cc1)C[C@@H](c1ccccc1O)N2	ZINC000015830321	558755172	/nfs/dbraw/zinc/75/51/72/558755172.db2.gz	XOPPSXGXKCTKEZ-FQEVSTJZSA-N	0	0	411.477	4.004	50	10		HICARN
COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	ZINC000016193577	558777549	/nfs/dbraw/zinc/77/75/49/558777549.db2.gz	OFWVLKFVVPIRAP-GDNBJRDFSA-N	0	0	404.388	4.073	50	10		HICARN
O=C(Nc1cc(NC(=O)[C@@H]2CCCO2)ccc1/N=N/c1ccccc1)[C@H]1CCCO1	ZINC000018066831	558830397	/nfs/dbraw/zinc/83/03/97/558830397.db2.gz	GOOBZODYDNMMBG-AWXSJKKLSA-N	0	0	408.458	4.337	50	10		HICARN
COc1cc(Br)cc(CN2CCN(c3cc(C)ccc3C)CC2)c1O	ZINC000055292343	558878694	/nfs/dbraw/zinc/87/86/94/558878694.db2.gz	ZCRWLQGDQIJQMM-UHFFFAOYSA-N	0	0	405.336	4.102	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(Cl)cc1	ZINC000004699101	558907214	/nfs/dbraw/zinc/90/72/14/558907214.db2.gz	OGTGJFAPHLNDMO-BOPFTXTBSA-N	0	0	413.857	4.234	50	10		HICARN
O=C(c1ccc(Cl)cc1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S	ZINC000016400788	558940996	/nfs/dbraw/zinc/94/09/96/558940996.db2.gz	ISLRKPMDVQJVHV-OVCLIPMQSA-N	0	0	403.868	4.110	50	10		HICARN
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCSc1ccc(Cl)cc1	ZINC000100429827	559135270	/nfs/dbraw/zinc/13/52/70/559135270.db2.gz	QNOXFCXUJLUEOU-LDADJPATSA-N	0	0	416.890	4.237	50	10		HICARN
CN(C)c1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1	ZINC000033387694	559148346	/nfs/dbraw/zinc/14/83/46/559148346.db2.gz	UVHUPSUKZVSFQK-CJLVFECKSA-N	0	0	412.449	4.495	50	10		HICARN
COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@@H]2c2ccc(O)c(O)c2)cc1	ZINC000004913295	559203052	/nfs/dbraw/zinc/20/30/52/559203052.db2.gz	HABFNDLKCKFJKI-QFIPXVFZSA-N	0	0	400.434	4.348	50	10		HICARN
COc1cccc(C(=O)NN2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)c1	ZINC000001465912	560581204	/nfs/dbraw/zinc/58/12/04/560581204.db2.gz	DCZBRWFFGHZANM-UYRXBGFRSA-N	0	0	420.515	4.395	50	10		HICARN
COc1cccc(Nc2cc(N3CCCC3)c(N)c3c2C(=O)c2ccccc2C3=O)c1	ZINC000005452108	560589379	/nfs/dbraw/zinc/58/93/79/560589379.db2.gz	DQUFGEYOPORWIK-UHFFFAOYSA-N	0	0	413.477	4.397	50	10		HICARN
CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O	ZINC000005652003	560636592	/nfs/dbraw/zinc/63/65/92/560636592.db2.gz	JPKXMRHQMUZCOT-MHWRWJLKSA-N	0	0	402.453	4.105	50	10		HICARN
Cc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000017478014	560718407	/nfs/dbraw/zinc/71/84/07/560718407.db2.gz	XOHFSACUKYPQNE-UHFFFAOYSA-N	0	0	423.419	4.288	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2ccccn2)c(C)n1-c1ccc(Br)cc1	ZINC000005692847	560785955	/nfs/dbraw/zinc/78/59/55/560785955.db2.gz	YYOQARRVQPNYTP-UHFFFAOYSA-N	0	0	413.271	4.291	50	10		HICARN
COc1cc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccncc2)ccc1O	ZINC000102829042	560829723	/nfs/dbraw/zinc/82/97/23/560829723.db2.gz	ZIOPSYKVLAHXKB-FDDCHVKYSA-N	0	0	403.438	4.047	50	10		HICARN
COc1cc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccnc2)ccc1O	ZINC000102907488	560835105	/nfs/dbraw/zinc/83/51/05/560835105.db2.gz	HKTOVZAEBRZVIB-FDDCHVKYSA-N	0	0	403.438	4.047	50	10		HICARN
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCc1nc(-c2ccc(F)cc2)no1	ZINC000048373863	568442201	/nfs/dbraw/zinc/44/22/01/568442201.db2.gz	VDURBHAPMAUCLU-UHFFFAOYSA-N	0	0	410.493	4.312	50	10		HICARN
O=C(C1=CN(c2ccc(F)c(F)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1	ZINC000049003868	568446541	/nfs/dbraw/zinc/44/65/41/568446541.db2.gz	NOMHVOYPVIUPFQ-UHFFFAOYSA-N	0	0	424.856	4.007	50	10		HICARN
CC(C)c1ncc(Cl)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1	ZINC000095426757	568608169	/nfs/dbraw/zinc/60/81/69/568608169.db2.gz	LARLOLGPYILEGF-OAHLLOKOSA-N	0	0	423.344	4.007	50	10		HICARN
C[C@@H](C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)n1cnc2ccccc21	ZINC000040088942	568615348	/nfs/dbraw/zinc/61/53/48/568615348.db2.gz	BTYFOTRFRACKPK-SFHVURJKSA-N	0	0	402.498	4.485	50	10		HICARN
Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000055523514	568638549	/nfs/dbraw/zinc/63/85/49/568638549.db2.gz	HEDDMCRVAKJMOU-UHFFFAOYSA-N	0	0	417.531	4.086	50	10		HICARN
COc1ccc(N2CCN(C(=O)C[C@H](c3cccc(C)c3)n3cccc3)CC2)cc1	ZINC000021015887	568657643	/nfs/dbraw/zinc/65/76/43/568657643.db2.gz	AAVSOEJETIBGAV-XMMPIXPASA-N	0	0	403.526	4.133	50	10		HICARN
COc1ccc(OC)c(C=C2SC(Nc3cc(OC)ccc3Cl)=NC2=O)c1	ZINC000211015831	568755986	/nfs/dbraw/zinc/75/59/86/568755986.db2.gz	SGUQDVRLUQOPQP-MFOYZWKCSA-N	0	0	404.875	4.448	50	10		HICARN
CC(=O)Nc1ccc(Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1	ZINC000001075356	568767082	/nfs/dbraw/zinc/76/70/82/568767082.db2.gz	UKFLIYFPZSIIFD-UHFFFAOYSA-N	0	0	409.445	4.452	50	10		HICARN
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccc(Br)c1	ZINC000001103975	568771986	/nfs/dbraw/zinc/77/19/86/568771986.db2.gz	UYOBPHQGZDOPAX-PDGQHHTCSA-N	0	0	412.283	4.322	50	10		HICARN
Cc1cc(C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c(C)n1-c1ccc2c(c1)OCO2	ZINC000002637347	568792662	/nfs/dbraw/zinc/79/26/62/568792662.db2.gz	KBWFIADWAHXVNB-IBGZPJMESA-N	0	0	424.280	4.133	50	10		HICARN
Cc1cc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1	ZINC000005863894	568826718	/nfs/dbraw/zinc/82/67/18/568826718.db2.gz	ZOSNYGVROUNSAA-UHFFFAOYSA-N	0	0	406.526	4.336	50	10		HICARN
COc1cc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)c([N+](=O)[O-])cc1OC	ZINC000005942638	568831386	/nfs/dbraw/zinc/83/13/86/568831386.db2.gz	JAZPZRCYNVOKQV-CHHVJCJISA-N	0	0	415.833	4.380	50	10		HICARN
CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(O)c(O)c3)SC2=S)cc1	ZINC000001236390	568897932	/nfs/dbraw/zinc/89/79/32/568897932.db2.gz	RYBLCFYSNQLFAT-PDGQHHTCSA-N	0	0	400.525	4.350	50	10		HICARN
Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1F	ZINC000263617819	568911632	/nfs/dbraw/zinc/91/16/32/568911632.db2.gz	PVMMBUWXOSZLOR-UHFFFAOYSA-N	0	0	418.465	4.053	50	10		HICARN
CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)cc3)C2=N)S1	ZINC000003890085	568928722	/nfs/dbraw/zinc/92/87/22/568928722.db2.gz	USYWGUMQRUNIDR-OIQQPNLJSA-N	0	0	424.507	4.242	50	10		HICARN
O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1cccc(O)c1	ZINC000004077026	568938314	/nfs/dbraw/zinc/93/83/14/568938314.db2.gz	CCRCJXKOQBBQJS-PDGQHHTCSA-N	0	0	406.488	4.092	50	10		HICARN
C[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2cc(-c3nc4ccccc4n3C)c(=O)oc21	ZINC000004136453	568945381	/nfs/dbraw/zinc/94/53/81/568945381.db2.gz	YUTUOAUIMNVUPQ-OAHLLOKOSA-N	0	0	403.482	4.427	50	10		HICARN
Cc1cc(C(=O)C(=O)Nc2nnc(-c3cccs3)s2)c(C)n1-c1ccccc1	ZINC000015673777	568962924	/nfs/dbraw/zinc/96/29/24/568962924.db2.gz	FNLOXJZWDRHYQV-UHFFFAOYSA-N	0	0	408.508	4.496	50	10		HICARN
COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OC(C)=O	ZINC000015723512	568977902	/nfs/dbraw/zinc/97/79/02/568977902.db2.gz	WLQGXZJBSNGJOQ-OQLLNIDSSA-N	0	0	415.239	4.364	50	10		HICARN
O=C1NC(=S)C(=Cc2cc(N3C(=O)C4=C(CCCC4)C3=O)ccc2Cl)S1	ZINC000085389526	568984222	/nfs/dbraw/zinc/98/42/22/568984222.db2.gz	SJAKWGBRNCYOOC-ZSOIEALJSA-N	0	0	404.900	4.209	50	10		HICARN
COc1cccc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2cccc(OC)c2O)c1	ZINC000089467225	569060877	/nfs/dbraw/zinc/06/08/77/569060877.db2.gz	ZXFQQJNVVQZXAX-GOSISDBHSA-N	0	0	408.479	4.462	50	10		HICARN
CSc1ncc(Cl)c(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n1	ZINC000006804301	569131295	/nfs/dbraw/zinc/13/12/95/569131295.db2.gz	HOSGOLLETGYCRC-UHFFFAOYSA-N	0	0	416.934	4.354	50	10		HICARN
O=C(C1=CN(c2ccc(Cl)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1	ZINC000065096279	569176755	/nfs/dbraw/zinc/17/67/55/569176755.db2.gz	ZTLFTCZKAWIWMU-UHFFFAOYSA-N	0	0	423.321	4.383	50	10		HICARN
CC(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@@H](c1cc(Cl)ccc1O)N2	ZINC000065297951	569219266	/nfs/dbraw/zinc/21/92/66/569219266.db2.gz	GSDYKTYAYSTBMX-NRFANRHFSA-N	0	0	411.933	4.216	50	10		HICARN
CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21	ZINC000089941740	569269208	/nfs/dbraw/zinc/26/92/08/569269208.db2.gz	WUDLVHHSAMZGLM-CVDCTZTESA-N	0	0	420.534	4.063	50	10		HICARN
CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21	ZINC000089941739	569269210	/nfs/dbraw/zinc/26/92/10/569269210.db2.gz	WUDLVHHSAMZGLM-XXBNENTESA-N	0	0	420.534	4.063	50	10		HICARN
N=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(C(F)(F)F)=NN21	ZINC000017163380	569275940	/nfs/dbraw/zinc/27/59/40/569275940.db2.gz	QIJJOYOTKLZCGU-MYEDEKDNSA-N	0	0	408.336	4.267	50	10		HICARN
COc1ccc(CCN2C(=O)/C(=C/c3ccc4c(c3)C[C@H](C)O4)SC2=S)cc1	ZINC000002225708	569314942	/nfs/dbraw/zinc/31/49/42/569314942.db2.gz	IZCHXEVRUDHFPB-DABDWFRDSA-N	0	0	411.548	4.463	50	10		HICARN
O=C(C(=O)c1c(F)c(F)c(C(=O)C(=O)c2ccccc2)c(F)c1F)c1ccccc1	ZINC000002305240	569372401	/nfs/dbraw/zinc/37/24/01/569372401.db2.gz	GKTZTSPBXHPVNK-UHFFFAOYSA-N	0	0	414.310	4.374	50	10		HICARN
CN(C)c1ccc(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)cc1	ZINC000019320381	569417500	/nfs/dbraw/zinc/41/75/00/569417500.db2.gz	IUBZHIIYEKZXKN-UHFFFAOYSA-N	0	0	403.526	4.180	50	10		HICARN
C[C@@H](c1ccccc1)N1C(=O)C(=CNc2ccc(Cn3cncn3)cc2)SC1=S	ZINC000008993429	571207990	/nfs/dbraw/zinc/20/79/90/571207990.db2.gz	BDZQERRDLMEFLT-BKQORJHRSA-N	0	0	421.551	4.201	50	10		HICARN
COc1ccc(NC(=O)NCc2cc(C)n(-c3ccccc3OC)c2C)cc1OC	ZINC000009228870	571239624	/nfs/dbraw/zinc/23/96/24/571239624.db2.gz	YDMHAWCAFLRWOH-UHFFFAOYSA-N	0	0	409.486	4.442	50	10		HICARN
C[C@@H]1CN(C2=NC(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)S2)C[C@@H](C)O1	ZINC000009971882	571293285	/nfs/dbraw/zinc/29/32/85/571293285.db2.gz	QNCSOMIBIKOPGD-QRDQSGBASA-N	0	0	420.332	4.010	50	10		HICARN
CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)OC)cc2)SC1=S	ZINC000006561153	845210764	/nfs/dbraw/zinc/21/07/64/845210764.db2.gz	YYOOWTYLFWSEDS-LDADJPATSA-N	0	0	413.520	4.273	50	10		HICARN
Cc1nn(C)c(C)c1/C=C\C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2	ZINC000096822863	852556198	/nfs/dbraw/zinc/55/61/98/852556198.db2.gz	MFXSIALNCJSHKE-CLFYSBASSA-N	0	0	409.511	4.116	50	10		HICARN
COc1ccc2ccc(O)c(CN3CCN(c4ccc(C(C)=O)cc4F)CC3)c2c1	ZINC000012543856	132362655	/nfs/dbraw/zinc/36/26/55/132362655.db2.gz	FELLNDJSSBFXFN-UHFFFAOYSA-N	0	0	408.473	4.218	50	10		HICARN
CC(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)o2)cc1	ZINC000012556413	132363732	/nfs/dbraw/zinc/36/37/32/132363732.db2.gz	PBCKQZPDBQLQAK-UHFFFAOYSA-N	0	0	418.493	4.258	50	10		HICARN
CC[C@@H](C)N1C(=O)/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC1=S	ZINC000012948417	132450418	/nfs/dbraw/zinc/45/04/18/132450418.db2.gz	IPWUQEQEXLYLPZ-QFGUUYLXSA-N	0	0	413.568	4.071	50	10		HICARN
CCCOc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)OC)cc3)N=C2C)cc1OC	ZINC000032099578	520321148	/nfs/dbraw/zinc/32/11/48/520321148.db2.gz	GTKFFTVHGQFYCZ-CPNJWEJPSA-N	0	0	408.454	4.077	50	10		HICARN
CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc(Cl)c3Cl)C2=N)S1	ZINC000032964064	520900244	/nfs/dbraw/zinc/90/02/44/520900244.db2.gz	OGEITHAJSUTQTF-GEVAWUEVSA-N	0	0	404.282	4.423	50	10		HICARN
CN(C)/C=C1\C(=O)N(c2ccccc2)N=C1c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000032691030	523968378	/nfs/dbraw/zinc/96/83/78/523968378.db2.gz	JDSJRGPUOZOYBG-RAXLEYEMSA-N	0	0	405.241	4.098	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3cc(-c4cccc5ccccc54)n[nH]3)CC2)cc1	ZINC000044838795	524418301	/nfs/dbraw/zinc/41/83/01/524418301.db2.gz	DEEAYOZALDOKSX-UHFFFAOYSA-N	0	0	412.493	4.201	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3cc(-c4cccnc4)nc4ccccc43)CC2)cc1	ZINC000032072790	524419356	/nfs/dbraw/zinc/41/93/56/524419356.db2.gz	UPBDCDJWAJADRD-UHFFFAOYSA-N	0	0	424.504	4.268	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3cccc(OCc4cccs4)c3)CC2)cc1	ZINC000032914002	524420709	/nfs/dbraw/zinc/42/07/09/524420709.db2.gz	YDFDOBWQXPFPQL-UHFFFAOYSA-N	0	0	408.523	4.298	50	10		HICARN
CSC1=NSC2=NC(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C(=N)N12	ZINC000032957618	525343895	/nfs/dbraw/zinc/34/38/95/525343895.db2.gz	YBDRIQRHTBIKKX-LITBSJMGSA-N	0	0	400.510	4.370	50	10		HICARN
COc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)SC1=S	ZINC000001136749	557201450	/nfs/dbraw/zinc/20/14/50/557201450.db2.gz	TXGJWWVRUKQTAY-WJDWOHSUSA-N	0	0	417.508	4.127	50	10		HICARN
CC1CC[NH+](Cc2c([O-])ccc3cc(-c4nc5ccccc5n4C)c(=O)oc32)CC1	ZINC000001155916	557213811	/nfs/dbraw/zinc/21/38/11/557213811.db2.gz	NSYLKTZCZFPERL-UHFFFAOYSA-N	0	0	403.482	4.284	50	10	biogenic	HICARN
COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(OC)c1OC	ZINC000001159449	557216896	/nfs/dbraw/zinc/21/68/96/557216896.db2.gz	UFDCRNBQDCZQKN-BOPFTXTBSA-N	0	0	401.509	4.427	50	10		HICARN
CCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)SC1=S	ZINC000001207011	557241524	/nfs/dbraw/zinc/24/15/24/557241524.db2.gz	QIRIIKZUOKPRFW-PDGQHHTCSA-N	0	0	413.520	4.444	50	10		HICARN
O=C1Nc2ccc(Br)cc2/C1=C/c1cc(O)c(O)c(Br)c1	ZINC000002104376	557314143	/nfs/dbraw/zinc/31/41/43/557314143.db2.gz	GPKLWRHHVIBYEO-KMKOMSMNSA-N	0	0	411.049	4.116	50	10		HICARN
COc1ccc(NC(=O)CC2(c3ccc(OC)cc3)C(=O)c3ccccc3C2=O)cc1	ZINC000002278199	557333836	/nfs/dbraw/zinc/33/38/36/557333836.db2.gz	VUHYWPYAJOHBCN-UHFFFAOYSA-N	0	0	415.445	4.050	50	10		HICARN
COc1ccc2c3ccc(OCC(=O)c4cccc([N+](=O)[O-])c4)c(C)c3oc(=O)c2c1	ZINC000002853551	557405987	/nfs/dbraw/zinc/40/59/87/557405987.db2.gz	PFFXAYYCVKJHAG-UHFFFAOYSA-N	0	0	419.389	4.433	50	10		HICARN
O=C1N=C(Nc2cccc(Br)c2)SC1=Cc1ccccc1[N+](=O)[O-]	ZINC000004695914	557582383	/nfs/dbraw/zinc/58/23/83/557582383.db2.gz	COFGDGPSJQFSPH-ZSOIEALJSA-N	0	0	404.245	4.440	50	10		HICARN
N=C1/C(=C\c2ccc(O)cc2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21	ZINC000004949502	557616410	/nfs/dbraw/zinc/61/64/10/557616410.db2.gz	JBDLHADBDUSJIF-SEEYEMCASA-N	0	0	406.511	4.228	50	10		HICARN
O=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1cccnc1	ZINC000006456953	557703306	/nfs/dbraw/zinc/70/33/06/557703306.db2.gz	VPOOXJQORIMQSR-WQRHYEAKSA-N	0	0	422.491	4.182	50	10		HICARN
CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1	ZINC000006719107	557716946	/nfs/dbraw/zinc/71/69/46/557716946.db2.gz	GCRQBEYROUHCFD-QFIPXVFZSA-N	0	0	416.529	4.360	50	10		HICARN
CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1cccc(C)c1	ZINC000002997863	557780270	/nfs/dbraw/zinc/78/02/70/557780270.db2.gz	AIJAZDFFRCFYQC-CPNJWEJPSA-N	0	0	415.536	4.340	50	10		HICARN
COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCc1ccccc1F	ZINC000008435589	557788855	/nfs/dbraw/zinc/78/88/55/557788855.db2.gz	HOTXPCJDTBWLRI-POCCGPMPSA-N	0	0	424.457	4.052	50	10		HICARN
COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)CC(C)C)CC2)cc1	ZINC000097546847	557823964	/nfs/dbraw/zinc/82/39/64/557823964.db2.gz	IBIGRZXDNZGNKD-MBSDFSHPSA-N	0	0	415.603	4.171	50	10		HICARN
CN1CCN(C2=NC(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)CC1	ZINC000020357506	558357792	/nfs/dbraw/zinc/35/77/92/558357792.db2.gz	VTSVUDWSZZKQCW-ATVHPVEESA-N	0	0	421.444	4.183	50	10		HICARN
C[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1Cl	ZINC000013062879	558510133	/nfs/dbraw/zinc/51/01/33/558510133.db2.gz	BECXCGFZFFFTRS-CQSZACIVSA-N	0	0	418.880	4.405	50	10		HICARN
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=CNc2ccccc2)cc1	ZINC000013645139	558556422	/nfs/dbraw/zinc/55/64/22/558556422.db2.gz	YJAPLLFKEMNADH-QNGOZBTKSA-N	0	0	414.421	4.350	50	10		HICARN
CCCCCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1OC	ZINC000013810431	558595403	/nfs/dbraw/zinc/59/54/03/558595403.db2.gz	BKMJULWCKFAEEM-ZAYKHXHNSA-N	0	0	418.559	4.344	50	10		HICARN
COc1cccc(OCCn2cc(C=C3SC(=S)NC3=O)c3ccccc32)c1	ZINC000013897903	558600767	/nfs/dbraw/zinc/60/07/67/558600767.db2.gz	AULPYAXPKVOBFL-ODLFYWEKSA-N	0	0	410.520	4.218	50	10		HICARN
Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccccc1	ZINC000005249642	558608230	/nfs/dbraw/zinc/60/82/30/558608230.db2.gz	RGGFJBGUWKXBNS-OLOAGALHSA-N	0	0	415.478	4.355	50	10		HICARN
CN(C)c1ccc(CN(C(=O)c2ccc(Br)o2)c2ccccn2)cc1	ZINC000028287559	558694971	/nfs/dbraw/zinc/69/49/71/558694971.db2.gz	VNDBKQMHZLJMJH-UHFFFAOYSA-N	0	0	400.276	4.350	50	10		HICARN
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N=C4SC(C)=CN4C3=N)o2)cc1	ZINC000034889831	558786787	/nfs/dbraw/zinc/78/67/87/558786787.db2.gz	JZRBXUKSAYVWNW-WZBMNHFVSA-N	0	0	407.451	4.290	50	10		HICARN
COc1ccc(N2CCN(Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)cc1	ZINC000016662792	558798392	/nfs/dbraw/zinc/79/83/92/558798392.db2.gz	QOZSGFOAEQYBJQ-UHFFFAOYSA-N	0	0	419.308	4.431	50	10		HICARN
Cc1ccc(C(=O)NC(=S)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1	ZINC000004687305	558895821	/nfs/dbraw/zinc/89/58/21/558895821.db2.gz	HTCMGNYBLPQMPK-UHFFFAOYSA-N	0	0	414.486	4.206	50	10		HICARN
COc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1F	ZINC000058158915	558904185	/nfs/dbraw/zinc/90/41/85/558904185.db2.gz	CAMIQKMOEJCLFO-TZTLJZABSA-N	0	0	412.505	4.121	50	10		HICARN
COc1ccccc1C(=O)NN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	ZINC000005030210	559231237	/nfs/dbraw/zinc/23/12/37/559231237.db2.gz	RHKWWHLXAQVPSQ-COVZNBLNSA-N	0	0	410.520	4.188	50	10		HICARN
O=C1/C(=C/C=C/c2ccc3c(c2)OCO3)SC(=S)N1c1ccc([N+](=O)[O-])cc1	ZINC000033906518	559290990	/nfs/dbraw/zinc/29/09/90/559290990.db2.gz	ZNOZKWVIYAUKOE-AZYLEGEESA-N	0	0	412.448	4.286	50	10		HICARN
COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c1	ZINC000033935257	560544857	/nfs/dbraw/zinc/54/48/57/560544857.db2.gz	XUSHPJMUZHYKHB-ICUZCALPSA-N	0	0	421.526	4.378	50	10		HICARN
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1	ZINC000005488677	560597664	/nfs/dbraw/zinc/59/76/64/560597664.db2.gz	DETXYGQYFBLZHO-ODXNEQJUSA-N	0	0	421.526	4.378	50	10		HICARN
C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)C[C@H](C)O1	ZINC000018143913	560779836	/nfs/dbraw/zinc/77/98/36/560779836.db2.gz	SOJZAOVYKAZTPV-POKCEJIYSA-N	0	0	408.523	4.345	50	10		HICARN
CCOc1cc(/C=C2\C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)ccc1O	ZINC000101637281	560797490	/nfs/dbraw/zinc/79/74/90/560797490.db2.gz	APSYQQKVVYVZKL-DALCUZTNSA-N	0	0	409.442	4.234	50	10		HICARN
COc1cccc(NC(=O)CN(C)C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1	ZINC000048356685	568441269	/nfs/dbraw/zinc/44/12/69/568441269.db2.gz	JSGMYGHPHNBMEW-UHFFFAOYSA-N	0	0	405.498	4.122	50	10		HICARN
Cc1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1	ZINC000048990158	568444272	/nfs/dbraw/zinc/44/42/72/568444272.db2.gz	VDUNLZAQFZZCBW-UHFFFAOYSA-N	0	0	416.930	4.428	50	10		HICARN
CC1CCN(C(=O)C2=CN(c3ccccc3)c3cc(Cl)ccc3S2(=O)=O)CC1	ZINC000049003960	568446644	/nfs/dbraw/zinc/44/66/44/568446644.db2.gz	XZBUDIYCIIRZDS-UHFFFAOYSA-N	0	0	416.930	4.365	50	10		HICARN
C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC=C(c2ccc(N(C)C)cc2)C1	ZINC000095454731	568616232	/nfs/dbraw/zinc/61/62/32/568616232.db2.gz	DSESNZWIFSWZLP-OAHLLOKOSA-N	0	0	405.458	4.171	50	10		HICARN
CC(C)Oc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1	ZINC000001071426	568765720	/nfs/dbraw/zinc/76/57/20/568765720.db2.gz	OULIXIYBRAXQNF-LTGZKZEYSA-N	0	0	407.539	4.266	50	10		HICARN
O=C(Oc1ccc(/C=C2/SC(=S)NC2=O)cc1)c1cccc(Br)c1	ZINC000001092568	568769301	/nfs/dbraw/zinc/76/93/01/568769301.db2.gz	OKCBXSVRFHIHBK-RIYZIHGNSA-N	0	0	420.309	4.157	50	10		HICARN
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1	ZINC000001168333	568781182	/nfs/dbraw/zinc/78/11/82/568781182.db2.gz	HDKLDDWHIQFXHF-NTCAYCPXSA-N	0	0	417.581	4.326	50	10		HICARN
COc1ccc(C(=O)Oc2ccc(C=C3SC(=S)NC3=O)cc2Cl)cc1	ZINC000002797169	568810500	/nfs/dbraw/zinc/81/05/00/568810500.db2.gz	XTGMAIGBOYYJGM-DHDCSXOGSA-N	0	0	405.884	4.057	50	10		HICARN
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1	ZINC000001196289	568823094	/nfs/dbraw/zinc/82/30/94/568823094.db2.gz	DQVGMGVBEPNZSR-NVNXTCNLSA-N	0	0	403.265	4.261	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1	ZINC000012554040	568854872	/nfs/dbraw/zinc/85/48/72/568854872.db2.gz	HAMWFDWIYXOAIK-UHFFFAOYSA-N	0	0	414.509	4.214	50	10		HICARN
O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1cccc(Cl)c1	ZINC000001298600	568913208	/nfs/dbraw/zinc/91/32/08/568913208.db2.gz	VYQHNQILOZNODS-SXGWCWSVSA-N	0	0	413.911	4.368	50	10		HICARN
O=C(c1ccco1)c1coc2ccc(O)c(CN3CCN(c4ccccc4F)CC3)c12	ZINC000218515881	568935799	/nfs/dbraw/zinc/93/57/99/568935799.db2.gz	AXWUSAWLWAISIO-UHFFFAOYSA-N	0	0	420.440	4.424	50	10		HICARN
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(F)c2)C1=O	ZINC000004263393	568955902	/nfs/dbraw/zinc/95/59/02/568955902.db2.gz	GFWWNOAEHYXEAM-BOPFTXTBSA-N	0	0	416.499	4.064	50	10		HICARN
CCN1C(=O)/C(=C\c2cccc(/C=C3/SC(=S)N(CC)C3=O)c2)SC1=S	ZINC000006178588	569017601	/nfs/dbraw/zinc/01/76/01/569017601.db2.gz	UTHADLWVKYRNAY-UTLPMFLDSA-N	0	0	420.606	4.129	50	10		HICARN
COc1ccccc1[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2O)N1	ZINC000053363276	569027516	/nfs/dbraw/zinc/02/75/16/569027516.db2.gz	MCGSBSXAMIYDJG-DVECYGJZSA-N	0	0	402.450	4.352	50	10		HICARN
CN(C)c1ccc([C@@H](CNC(=O)c2cccs2)N2CCc3ccccc3C2)cc1	ZINC000035349261	569033430	/nfs/dbraw/zinc/03/34/30/569033430.db2.gz	XDNWYGQOOHIFDR-JOCHJYFZSA-N	0	0	405.567	4.344	50	10		HICARN
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1c[nH]c2ccc(OC)cc12	ZINC000006263486	569035985	/nfs/dbraw/zinc/03/59/85/569035985.db2.gz	KALKGCNRYXQTCI-BKUYFWCQSA-N	0	0	416.477	4.092	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2cccc(O)c2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000006329505	569043719	/nfs/dbraw/zinc/04/37/19/569043719.db2.gz	DNZMADCWMZICMH-UHFFFAOYSA-N	0	0	415.392	4.441	50	10		HICARN
Cc1cc(C(=O)[C@@H](C)OC(=O)CN2CCSC2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000006610478	569074177	/nfs/dbraw/zinc/07/41/77/569074177.db2.gz	MBDFXALOJZCCMQ-CQSZACIVSA-N	0	0	420.918	4.031	50	10		HICARN
COc1ccc(-n2c(C)cc(C(=O)CSc3nc4nc(C)cc(C)n4n3)c2C)cc1	ZINC000006788612	569122614	/nfs/dbraw/zinc/12/26/14/569122614.db2.gz	JWUCWXINVGYEFX-UHFFFAOYSA-N	0	0	421.526	4.132	50	10		HICARN
Cc1cc(C(=O)COc2ncnc3ccccc32)c(C)n1-c1ccc2c(c1)OCO2	ZINC000006862359	569158426	/nfs/dbraw/zinc/15/84/26/569158426.db2.gz	ASWZMBZJLIIROK-UHFFFAOYSA-N	0	0	401.422	4.028	50	10		HICARN
COC(=O)c1ccc(Oc2c(C)oc3c(ccc([O-])c3C[NH+]3CCCCC3)c2=O)cc1	ZINC000006920687	569181769	/nfs/dbraw/zinc/18/17/69/569181769.db2.gz	RRYFYHCQFJWYIY-UHFFFAOYSA-N	0	0	423.465	4.372	50	10	biogenic	HICARN
CC1CCN(c2ccc(CNC(=O)c3cccc4c3CCN4C(=O)C3CC3)cc2)CC1	ZINC000065209992	569196463	/nfs/dbraw/zinc/19/64/63/569196463.db2.gz	VGOATCPUHZFHNN-UHFFFAOYSA-N	0	0	417.553	4.152	50	10		HICARN
CN(C)c1ccc(CNC(=O)c2ccn3c(c2)nnc3-c2ccccc2Cl)cc1	ZINC000065296408	569218939	/nfs/dbraw/zinc/21/89/39/569218939.db2.gz	GOQLFLPSYGNFFE-UHFFFAOYSA-N	0	0	405.889	4.046	50	10		HICARN
CCN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)N(CC)C1=S	ZINC000002219800	569312124	/nfs/dbraw/zinc/31/21/24/569312124.db2.gz	SZTALVHUDZVVPD-UHFFFAOYSA-N	0	0	417.534	4.069	50	10		HICARN
Cc1cc(-c2csc(NC3CCCC3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000007843274	569314076	/nfs/dbraw/zinc/31/40/76/569314076.db2.gz	UIWMQZKCRCCYTD-UHFFFAOYSA-N	0	0	416.572	4.220	50	10		HICARN
CN1C(=O)C(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N(C)C1=O	ZINC000002366434	569388187	/nfs/dbraw/zinc/38/81/87/569388187.db2.gz	MXLLCNZVROKUIJ-UHFFFAOYSA-N	0	0	423.472	4.277	50	10		HICARN
Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000013071194	569408578	/nfs/dbraw/zinc/40/85/78/569408578.db2.gz	VOKJYOLVBDKJDN-FYSMJZIKSA-N	0	0	407.514	4.086	50	10		HICARN
CC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN21	ZINC000009012933	571210824	/nfs/dbraw/zinc/21/08/24/571210824.db2.gz	YTGOGNHLRUMMKG-WXFUMESZSA-N	0	0	420.468	4.198	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccncc2)c1	ZINC000245295988	571223393	/nfs/dbraw/zinc/22/33/93/571223393.db2.gz	IGHQPDUXYASWSO-XXBNENTESA-N	0	0	403.438	4.047	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2cccnc2)c1	ZINC000245297681	571223669	/nfs/dbraw/zinc/22/36/69/571223669.db2.gz	WKSDBLBRXRREHS-XXBNENTESA-N	0	0	403.438	4.047	50	10		HICARN
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Br)cc1	ZINC000009845949	571288068	/nfs/dbraw/zinc/28/80/68/571288068.db2.gz	IYYQPMWXMNLUQL-PTNGSMBKSA-N	0	0	416.246	4.465	50	10		HICARN
COc1cc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2cccnc2)ccc1O	ZINC000010216085	571297342	/nfs/dbraw/zinc/29/73/42/571297342.db2.gz	HKTOVZAEBRZVIB-JPYJTQIMSA-N	0	0	403.438	4.047	50	10		HICARN
COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	ZINC000001083140	132236724	/nfs/dbraw/zinc/23/67/24/132236724.db2.gz	MYKSZEAUGWDCAD-UHFFFAOYSA-N	0	0	414.486	4.444	50	10		HICARN
O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccccc1Cl	ZINC000002394020	132253895	/nfs/dbraw/zinc/25/38/95/132253895.db2.gz	DEXKDAFIEBEQOJ-AQTBWJFISA-N	0	0	401.894	4.272	50	10		HICARN
Cc1ccc(S(=O)(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1	ZINC000002789195	132257955	/nfs/dbraw/zinc/25/79/55/132257955.db2.gz	MCEVEIYMEKNRME-UHFFFAOYSA-N	0	0	422.550	4.085	50	10		HICARN
COc1cc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)cc(OC)c1OC	ZINC000005352431	132305202	/nfs/dbraw/zinc/30/52/02/132305202.db2.gz	BUEMGWAWVJBIIK-UHFFFAOYSA-N	0	0	411.454	4.101	50	10		HICARN
CCC(=O)OCCNc1cc(N2CCCCC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000006737846	132314061	/nfs/dbraw/zinc/31/40/61/132314061.db2.gz	HOIXADRNVCWIMW-UHFFFAOYSA-N	0	0	419.481	4.395	50	10		HICARN
C[C@H]1CCCN(c2cc(N3CCN(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)C1	ZINC000006738009	132314344	/nfs/dbraw/zinc/31/43/44/132314344.db2.gz	OGLSAZIPMPTGIT-INIZCTEOSA-N	0	0	416.525	4.027	50	10		HICARN
COc1ccc(N2CCN(c3cc(C)nc4c(-c5ccccc5)c(C)nn43)CC2)cc1	ZINC000006746409	132314721	/nfs/dbraw/zinc/31/47/21/132314721.db2.gz	QGKAXUALLVXEKT-UHFFFAOYSA-N	0	0	413.525	4.348	50	10		HICARN
CCCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000009251214	132337497	/nfs/dbraw/zinc/33/74/97/132337497.db2.gz	RIMSTKVMALSKHM-UHFFFAOYSA-N	0	0	421.497	4.142	50	10		HICARN
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000010907870	132346818	/nfs/dbraw/zinc/34/68/18/132346818.db2.gz	ACFDEUXYSYYIOW-MRXNPFEDSA-N	0	0	404.963	4.316	50	10		HICARN
Cc1ccccc1N1CCN(CN2C(=O)/C(=C/c3cccs3)SC2=S)CC1	ZINC000019799320	525222901	/nfs/dbraw/zinc/22/29/01/525222901.db2.gz	KOVRQRRBZCHFEK-AQTBWJFISA-N	0	0	415.609	4.037	50	10		HICARN
C[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1	ZINC000044854986	525325369	/nfs/dbraw/zinc/32/53/69/525325369.db2.gz	ZXWLWGLDLORQAZ-NHCUHLMSSA-N	0	0	421.585	4.246	50	10		HICARN
COc1ccc([C@H](NC(=O)C(C)C)c2cc(Cl)c3cccnc3c2O)cc1OC	ZINC000000801094	557084952	/nfs/dbraw/zinc/08/49/52/557084952.db2.gz	MDXIDWIREKGPHO-IBGZPJMESA-N	0	0	414.889	4.473	50	10		HICARN
CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)C3=C1SC(=S)NC1=O	ZINC000001421884	557260575	/nfs/dbraw/zinc/26/05/75/557260575.db2.gz	GGUKORRAAAWTGU-BZNBOCDVSA-N	0	0	420.559	4.381	50	10		HICARN
O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc(Cl)ccc1O	ZINC000001798918	557288924	/nfs/dbraw/zinc/28/89/24/557288924.db2.gz	XNTFLBNEFKZANV-NTEUORMPSA-N	0	0	424.956	4.337	50	10		HICARN
O=C1N=C(N2CCCCC2)S/C1=C1/c2ccccc2N(Cc2ccccc2)C1=O	ZINC000002288690	557334633	/nfs/dbraw/zinc/33/46/33/557334633.db2.gz	QJTWNWVIMINKRM-VXPUYCOJSA-N	0	0	403.507	4.060	50	10		HICARN
Nc1cc2c(=O)c3cc(C(F)(F)F)ccc3[nH]c2c2c1C(=O)c1ccccc1C2=O	ZINC000004114894	557515356	/nfs/dbraw/zinc/51/53/56/557515356.db2.gz	QFHGSLKQTWXHMF-UHFFFAOYSA-N	0	0	408.335	4.470	50	10		HICARN
CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O	ZINC000004622113	557573600	/nfs/dbraw/zinc/57/36/00/557573600.db2.gz	KKQWREJBJDQGFT-YBFXNURJSA-N	0	0	412.511	4.310	50	10		HICARN
CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O	ZINC000004663522	557578003	/nfs/dbraw/zinc/57/80/03/557578003.db2.gz	HWTJJHXXICORSF-WOJGMQOQSA-N	0	0	412.511	4.310	50	10		HICARN
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(O)c1	ZINC000005555145	557661857	/nfs/dbraw/zinc/66/18/57/557661857.db2.gz	KHBANNCWVCAWBI-RVDMUPIBSA-N	0	0	404.538	4.074	50	10		HICARN
CCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2c1CC[C@H](c1ccccc1)C2	ZINC000022666730	557720097	/nfs/dbraw/zinc/72/00/97/557720097.db2.gz	ALRXJGXIBDFMDD-HNNXBMFYSA-N	0	0	415.511	4.089	50	10		HICARN
COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(C(C)=O)c(F)c3)c2C)cc1	ZINC000097552546	557823807	/nfs/dbraw/zinc/82/38/07/557823807.db2.gz	XPCVMXXWGIASLQ-UHFFFAOYSA-N	0	0	423.440	4.484	50	10		HICARN
O=C1C(=CNCc2cccs2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1	ZINC000020827761	558417050	/nfs/dbraw/zinc/41/70/50/558417050.db2.gz	DHZVKBCVEPJZRR-UHFFFAOYSA-N	0	0	415.559	4.178	50	10	aggregator	HICARN
O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(I)cc2)o1	ZINC000013475923	558533949	/nfs/dbraw/zinc/53/39/49/558533949.db2.gz	WXZARFAKVMKUNB-GHXNOFRVSA-N	0	0	413.261	4.040	50	10		HICARN
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(C)CC3)C2=O)cc1	ZINC000013774052	558592044	/nfs/dbraw/zinc/59/20/44/558592044.db2.gz	ZRNKJMNHIUNASK-CYVLTUHYSA-N	0	0	416.612	4.489	50	10		HICARN
CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1	ZINC000013942085	558604870	/nfs/dbraw/zinc/60/48/70/558604870.db2.gz	BEMPDAPXMYAQEK-RVAQLADHSA-N	0	0	412.536	4.410	50	10		HICARN
Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c(F)c3F)sc2n1	ZINC000014151899	558625668	/nfs/dbraw/zinc/62/56/68/558625668.db2.gz	POEFHMQMNVKXON-SECBINFHSA-N	0	0	423.416	4.097	50	10		HICARN
COc1ccc(N(CCC(N)=O)CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1	ZINC000014703184	558664074	/nfs/dbraw/zinc/66/40/74/558664074.db2.gz	NIEVLVXFZGLRMU-UHFFFAOYSA-N	0	0	411.546	4.263	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1O	ZINC000015010745	558700141	/nfs/dbraw/zinc/70/01/41/558700141.db2.gz	HWLLUARFNHGARH-WJDWOHSUSA-N	0	0	405.928	4.498	50	10		HICARN
COc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2cccnc2)C1=O	ZINC000015010882	558700340	/nfs/dbraw/zinc/70/03/40/558700340.db2.gz	WHFRKEZCJQLPLR-NVNXTCNLSA-N	0	0	421.341	4.254	50	10		HICARN
COc1ccc(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)cc1	ZINC000015857214	558757081	/nfs/dbraw/zinc/75/70/81/558757081.db2.gz	PKNDXASQZDAYSR-XMHGGMMESA-N	0	0	415.536	4.374	50	10		HICARN
CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2ccccn2)C1=O	ZINC000016661208	558798358	/nfs/dbraw/zinc/79/83/58/558798358.db2.gz	YJVGZIAWZDZICP-FBWUVJDOSA-N	0	0	409.536	4.258	50	10		HICARN
Cc1cccc(N2CCN(C3(c4ccccc4)C(=O)c4ccccc4C3=O)C[C@H]2C)c1	ZINC000013786493	558869506	/nfs/dbraw/zinc/86/95/06/558869506.db2.gz	CWGYDRBVZNLKMY-HXUWFJFHSA-N	0	0	410.517	4.480	50	10		HICARN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)o1	ZINC000004691080	558904963	/nfs/dbraw/zinc/90/49/63/558904963.db2.gz	UNJCSQHXHKTTCE-UHFFFAOYSA-N	0	0	405.362	4.345	50	10		HICARN
COc1ccc(-n2c(C)cc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)c2C)cc1	ZINC000023184157	559030751	/nfs/dbraw/zinc/03/07/51/559030751.db2.gz	QOZCICDYWOIPTI-HXUWFJFHSA-N	0	0	406.482	4.015	50	10		HICARN
Cc1csc(-c2cc(S(=O)(=O)NCc3ccc(N(C)C)cc3)c(C)s2)n1	ZINC000033290018	559047069	/nfs/dbraw/zinc/04/70/69/559047069.db2.gz	PKIGTDLCMJCNAM-UHFFFAOYSA-N	0	0	407.586	4.033	50	10		HICARN
Cc1cc(C(=O)CN2CCOCC2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	ZINC000023230571	559063967	/nfs/dbraw/zinc/06/39/67/559063967.db2.gz	MIDGQWGZYBQKJB-UHFFFAOYSA-N	0	0	400.828	4.281	50	10		HICARN
CCN(CC)c1ccc(/C=C2\C(=O)N=C3SN=C(SC(C)C)N3C2=N)cc1	ZINC000004800814	559067530	/nfs/dbraw/zinc/06/75/30/559067530.db2.gz	YZPYQOWTZAEPLC-GQECEEOXSA-N	0	0	401.561	4.251	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=N)S1	ZINC000004837488	559166502	/nfs/dbraw/zinc/16/65/02/559166502.db2.gz	ZQGFSJOYAAUIPM-GJXXPDGXSA-N	0	0	408.458	4.434	50	10		HICARN
COc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)CC2)cc1	ZINC000061991183	560564665	/nfs/dbraw/zinc/56/46/65/560564665.db2.gz	NEMYITZDZJMTDV-DNNHASFKSA-N	0	0	424.585	4.131	50	10		HICARN
Cc1ccc(C2=NC(=O)/C(=C3\C(=O)Nc4c3cc(C)cc4Br)S2)cc1	ZINC000034222240	560589972	/nfs/dbraw/zinc/58/99/72/560589972.db2.gz	FEFFSZZVHGPDQP-JQIJEIRASA-N	0	0	413.296	4.449	50	10		HICARN
CCN(CC)c1ccc(C=C(C(=O)NCCC(C)C)C(=O)NCCC(C)C)cc1	ZINC000005659166	560637082	/nfs/dbraw/zinc/63/70/82/560637082.db2.gz	KEZNZWCSCFAMHO-UHFFFAOYSA-N	0	0	401.595	4.241	50	10		HICARN
O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000020177989	568592771	/nfs/dbraw/zinc/59/27/71/568592771.db2.gz	XLBUNPSEQJMPAK-UHFFFAOYSA-N	0	0	416.908	4.437	50	10		HICARN
N=C1/C(=C\c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(c3ccco3)=NN21	ZINC000020238788	568595914	/nfs/dbraw/zinc/59/59/14/568595914.db2.gz	UTABNFSVEPLTIM-ILUQACKLSA-N	0	0	424.463	4.425	50	10		HICARN
Cc1cc(NS(=O)(=O)c2ccccc2)c(Br)c(Br)c1O	ZINC000000939781	568752747	/nfs/dbraw/zinc/75/27/47/568752747.db2.gz	QKSBRUFBWTUIEM-UHFFFAOYSA-N	0	0	421.110	4.026	50	10		HICARN
CCCCN1C(=O)/C(=C/C=C/c2ccccc2)C(=O)N(CCc2ccccc2)C1=O	ZINC000096562533	568760428	/nfs/dbraw/zinc/76/04/28/568760428.db2.gz	OENNPGRBKXJGRD-ONBHANDSSA-N	0	0	402.494	4.460	50	10		HICARN
CCOC(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C)oc32)C1	ZINC000028890941	568812747	/nfs/dbraw/zinc/81/27/47/568812747.db2.gz	KYUGURSNTALVRM-SFHVURJKSA-N	0	0	421.493	4.249	50	10		HICARN
O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccccc1O	ZINC000001186178	568822530	/nfs/dbraw/zinc/82/25/30/568822530.db2.gz	MZNBPYUCXSWVOO-ATVHPVEESA-N	0	0	416.499	4.151	50	10		HICARN
COc1ccc([C@@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1OC	ZINC000001219004	568836739	/nfs/dbraw/zinc/83/67/39/568836739.db2.gz	SODCIWIGEOKFSE-JOCHJYFZSA-N	0	0	414.461	4.477	50	10		HICARN
CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)ccc3OC)c2C)C(C(=O)OC)=C1C	ZINC000003651928	568866468	/nfs/dbraw/zinc/86/64/68/568866468.db2.gz	JYFVZFJKSKERMB-UYRXBGFRSA-N	0	0	408.498	4.104	50	10		HICARN
O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)c(Cl)c1	ZINC000001256121	568908975	/nfs/dbraw/zinc/90/89/75/568908975.db2.gz	BWLDSQIZKVQAPE-QPEQYQDCSA-N	0	0	412.920	4.381	50	10		HICARN
O=C1Nc2ccc(Br)cc2[C@]12NN=C(c1cccc3ccccc31)S2	ZINC000004176859	568948791	/nfs/dbraw/zinc/94/87/91/568948791.db2.gz	LBDIKPWSADWNHA-LJQANCHMSA-N	0	0	410.296	4.405	50	10		HICARN
COC(=O)c1ccc([C@H]2N=C(c3cccc(OC)c3)C[C@@H](c3ccccc3O)N2)cc1	ZINC000053363480	569027657	/nfs/dbraw/zinc/02/76/57/569027657.db2.gz	NGGFYPRROHKQIF-UPVQGACJSA-N	0	0	416.477	4.410	50	10		HICARN
CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2F)N2CCc3ccccc3C2)cc1	ZINC000035349253	569033436	/nfs/dbraw/zinc/03/34/36/569033436.db2.gz	ASWQGSQIQQVEQU-RUZDIDTESA-N	0	0	417.528	4.421	50	10		HICARN
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1	ZINC000006263173	569035983	/nfs/dbraw/zinc/03/59/83/569035983.db2.gz	QMGRMDVTGVJFOB-LDADJPATSA-N	0	0	412.536	4.365	50	10		HICARN
CC[C@H](NC(=O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](CC)c1ccccc1O)c1ccccc1O	ZINC000242338980	569055042	/nfs/dbraw/zinc/05/50/42/569055042.db2.gz	ZDYQIOJGOKAJSA-JYWFKMLOSA-N	0	0	424.541	4.349	50	10		HICARN
Cc1cc(C(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)c(C)n1-c1ccccn1	ZINC000089580051	569070703	/nfs/dbraw/zinc/07/07/03/569070703.db2.gz	SSHQQSTVOYVTKM-FQEVSTJZSA-N	0	0	413.525	4.452	50	10		HICARN
CCN(CC)c1ccc(CN(C(=O)CC(C)C)C(C)C)c(OS(=O)(=O)CC)c1	ZINC000006711003	569096675	/nfs/dbraw/zinc/09/66/75/569096675.db2.gz	CNDYMSPJBWHYHU-UHFFFAOYSA-N	0	0	412.596	4.044	50	10		HICARN
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@@]3(C)C2=O)cc1	ZINC000006721179	569099027	/nfs/dbraw/zinc/09/90/27/569099027.db2.gz	YGVZHYKKKOYDPE-WRALFONMSA-N	0	0	414.461	4.142	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(O)c2)c1	ZINC000006721800	569099356	/nfs/dbraw/zinc/09/93/56/569099356.db2.gz	ZMNHUPQTIJUAJJ-HYBUGGRVSA-N	0	0	418.449	4.357	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccnc2)c1	ZINC000006721810	569099414	/nfs/dbraw/zinc/09/94/14/569099414.db2.gz	WKSDBLBRXRREHS-AUSIDOKSSA-N	0	0	403.438	4.047	50	10		HICARN
Cc1ccc2c(c1)N(c1cccc(Cl)c1)C=C(C(=O)N1CCCC1)S2(=O)=O	ZINC000065096276	569176795	/nfs/dbraw/zinc/17/67/95/569176795.db2.gz	MVRJKOUYEOLMSP-UHFFFAOYSA-N	0	0	402.903	4.038	50	10		HICARN
CN(C)c1ccc(CNC(=O)c2ccn3c(c2)nnc3-c2ccc(Cl)cc2)cc1	ZINC000065296187	569218900	/nfs/dbraw/zinc/21/89/00/569218900.db2.gz	QTXOEKHAMXSECY-UHFFFAOYSA-N	0	0	405.889	4.046	50	10		HICARN
O=C(CSc1ccc(F)c(F)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000014637043	569261180	/nfs/dbraw/zinc/26/11/80/569261180.db2.gz	IPTLZIDRQQMUGB-UHFFFAOYSA-N	0	0	409.413	4.471	50	10		HICARN
O=C(Cn1c(=O)[nH]c2ccccc21)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21	ZINC000089826467	569266645	/nfs/dbraw/zinc/26/66/45/569266645.db2.gz	MFFVYSNRLNWAKN-VWLOTQADSA-N	0	0	423.472	4.094	50	10		HICARN
O=C(COc1ccc(C(F)(F)F)cc1)Nc1c(-c2ccccn2)nc2ccccn21	ZINC000079048928	569425452	/nfs/dbraw/zinc/42/54/52/569425452.db2.gz	HHNNRISWAQOPHJ-UHFFFAOYSA-N	0	0	412.371	4.433	50	10		HICARN
CSc1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(C)cc32)c1	ZINC000067245526	571054062	/nfs/dbraw/zinc/05/40/62/571054062.db2.gz	NAQUHUDERQHPHU-UHFFFAOYSA-N	0	0	414.552	4.106	50	10		HICARN
O=C(CN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S)Nc1cccnc1	ZINC000008765892	571115654	/nfs/dbraw/zinc/11/56/54/571115654.db2.gz	UOMPEHKBBMNGFT-AUWJEWJLSA-N	0	0	424.334	4.228	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(O)c2)c1	ZINC000245311638	571224280	/nfs/dbraw/zinc/22/42/80/571224280.db2.gz	PJQUIGXNAARJKH-CYFREDJKSA-N	0	0	418.449	4.357	50	10		HICARN
Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000009293645	571245847	/nfs/dbraw/zinc/24/58/47/571245847.db2.gz	XJMDGXJHKPVFMX-AYPGXZSPSA-N	0	0	417.416	4.362	50	10		HICARN
Cc1cc(=O)[nH]c(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(N(C)C)cc2)n1	ZINC000009489620	571262639	/nfs/dbraw/zinc/26/26/39/571262639.db2.gz	ITUWERBZMQYTRF-HXUWFJFHSA-N	0	0	407.905	4.153	50	10		HICARN
CC(=O)N(c1nc(/C=C2/SC(=S)N(C)C2=O)cs1)c1ccc(C)c(C)c1	ZINC000012910312	845897097	/nfs/dbraw/zinc/89/70/97/845897097.db2.gz	XHJJWNDFIFCFON-OVCLIPMQSA-N	0	0	403.554	4.276	50	10		HICARN
COC(=O)c1cccc(NC(=O)/C=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	ZINC000015565738	846064256	/nfs/dbraw/zinc/06/42/56/846064256.db2.gz	DOJZRCVHNWFJBI-JXMROGBWSA-N	0	0	418.449	4.261	50	10		HICARN
O=C1NC(=S)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000016264883	846144621	/nfs/dbraw/zinc/14/46/21/846144621.db2.gz	CWQITVPYPCLHRB-YBEGLDIGSA-N	0	0	412.854	4.020	50	10		HICARN
O=C1N=C(N2CCCCC2)S/C1=C1\c2ccccc2N(Cc2ccc(F)cc2)C1=O	ZINC000039983092	848196733	/nfs/dbraw/zinc/19/67/33/848196733.db2.gz	GGRGXKDYNHKAAM-FMQUCBEESA-N	0	0	421.497	4.199	50	10		HICARN
Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(OCc3nccn3C)cc2)S1	ZINC000040139641	848197615	/nfs/dbraw/zinc/19/76/15/848197615.db2.gz	RRPTWYSCTWIDNX-CPNJWEJPSA-N	0	0	404.495	4.390	50	10		HICARN
Cc1cccc(COC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1	ZINC000096937139	852560191	/nfs/dbraw/zinc/56/01/91/852560191.db2.gz	KQDDOOKGXRDTEU-PDGQHHTCSA-N	0	0	415.511	4.469	50	10		HICARN
COc1ccccc1/C=C1/C(=O)N(c2ccc(I)cc2)N=C1C	ZINC000100880663	852659940	/nfs/dbraw/zinc/65/99/40/852659940.db2.gz	JIARANWDWCLTTF-LFIBNONCSA-N	0	0	418.234	4.106	50	10		HICARN
O=C1C(=Cc2cc(Br)ccc2O)NC(=S)N1Cc1ccccc1Cl	ZINC000101448670	852661774	/nfs/dbraw/zinc/66/17/74/852661774.db2.gz	QDNGQFDBNFQRQA-RIYZIHGNSA-N	0	0	423.719	4.066	50	10		HICARN
CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CNC1=NCCC1=S	ZINC000003204936	132263284	/nfs/dbraw/zinc/26/32/84/132263284.db2.gz	BDBFHOMBQNJRJS-DEOSSOPVSA-N	0	0	405.567	4.270	50	10		HICARN
Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4O)S3)CC2)cc1Cl	ZINC000004834569	132289976	/nfs/dbraw/zinc/28/99/76/132289976.db2.gz	JOMKECOAZIGIKR-XDHOZWIPSA-N	0	0	413.930	4.147	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1	ZINC000009339266	132338768	/nfs/dbraw/zinc/33/87/68/132338768.db2.gz	RGOYJZKAVHYUJX-UHFFFAOYSA-N	0	0	403.526	4.203	50	10		HICARN
Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@H](c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000015413416	132461672	/nfs/dbraw/zinc/46/16/72/132461672.db2.gz	SQKZCYUNHNZCGU-RUZDIDTESA-N	0	0	413.521	4.491	50	10		HICARN
CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=N)S1	ZINC000033143527	519894597	/nfs/dbraw/zinc/89/45/97/519894597.db2.gz	JYOFFEAWYCVGBX-IUUVDYQKSA-N	0	0	409.427	4.274	50	10		HICARN
CCOc1ccc(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1OCC	ZINC000032827552	520953413	/nfs/dbraw/zinc/95/34/13/520953413.db2.gz	VJGJDLUTVMZKMC-UHFFFAOYSA-N	0	0	407.514	4.259	50	10		HICARN
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c2C)c(OC)c1	ZINC000020037420	523312474	/nfs/dbraw/zinc/31/24/74/523312474.db2.gz	WUYMNVLAXPUFON-WAJQDEFNSA-N	0	0	422.510	4.278	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3c4ccccc4nnc3-c3ccccc3)CC2)cc1	ZINC000032953084	524417551	/nfs/dbraw/zinc/41/75/51/524417551.db2.gz	QFBXVACFSKDKMD-UHFFFAOYSA-N	0	0	424.504	4.268	50	10		HICARN
COc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)cc1	ZINC000000628594	557024545	/nfs/dbraw/zinc/02/45/45/557024545.db2.gz	PFLLISOCJGXLTF-UHFFFAOYSA-N	0	0	419.510	4.053	50	10		HICARN
CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21	ZINC000000992642	557135408	/nfs/dbraw/zinc/13/54/08/557135408.db2.gz	JROBFTCAWXENNQ-NXVVXOECSA-N	0	0	414.895	4.009	50	10		HICARN
O=C(Nc1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3)C(F)(F)F	ZINC000001152173	557212001	/nfs/dbraw/zinc/21/20/01/557212001.db2.gz	CQVGRIAUKCOURN-UHFFFAOYSA-N	0	0	411.133	4.303	50	10		HICARN
COC(=O)COc1ccccc1/C=C1\SC(=S)N(CCC2CCCCC2)C1=O	ZINC000001157380	557215342	/nfs/dbraw/zinc/21/53/42/557215342.db2.gz	QAGSPWQYCDYLBY-AQTBWJFISA-N	0	0	419.568	4.410	50	10		HICARN
CN1c2ccccc2C(=C2SC(Nc3ccc(Cl)cc3Cl)=NC2=O)C1=O	ZINC000001297766	557253984	/nfs/dbraw/zinc/25/39/84/557253984.db2.gz	PDWSZQLZOHPNSI-PFONDFGASA-N	0	0	404.278	4.422	50	10		HICARN
CCOc1ccc(N2C(=O)/C(=C3\c4ccccc4N(CC)C3=O)SC2=S)cc1	ZINC000002286660	557334423	/nfs/dbraw/zinc/33/44/23/557334423.db2.gz	BFIZIZVGHKHILD-ZCXUNETKSA-N	0	0	410.520	4.228	50	10		HICARN
COc1ccc2c3ccc(OCC(=O)N(C)C4CCCCC4)c(C)c3oc(=O)c2c1	ZINC000002843647	557401997	/nfs/dbraw/zinc/40/19/97/557401997.db2.gz	ARFOEIRAGNLXBF-UHFFFAOYSA-N	0	0	409.482	4.433	50	10		HICARN
Cc1ccc(COc2ccc(/C=C3\NC(=S)N(C)C3=O)cc2Br)cc1	ZINC000002852048	557405221	/nfs/dbraw/zinc/40/52/21/557405221.db2.gz	XCZDVCFSVGAWGT-YBEGLDIGSA-N	0	0	417.328	4.024	50	10		HICARN
COc1ccccc1OCCCOc1ccccc1C=C1SC(=S)NC1=O	ZINC000002878547	557418421	/nfs/dbraw/zinc/41/84/21/557418421.db2.gz	RYWCOGGHJQJYPU-QGOAFFKASA-N	0	0	401.509	4.032	50	10		HICARN
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000004313685	557539896	/nfs/dbraw/zinc/53/98/96/557539896.db2.gz	GYXHEHGGGVYMFX-UHFFFAOYSA-N	0	0	406.781	4.276	50	10		HICARN
CSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=N)S1	ZINC000004661143	557577890	/nfs/dbraw/zinc/57/78/90/557577890.db2.gz	BPOJDZWXKLQYJJ-QICLDNETSA-N	0	0	413.503	4.173	50	10		HICARN
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1F	ZINC000004688432	557581387	/nfs/dbraw/zinc/58/13/87/557581387.db2.gz	OGKPQZUZYBKPJF-UDWIEESQSA-N	0	0	407.420	4.465	50	10		HICARN
Cc1c(N2C(=O)/C(=C\[C@@H]3CC=CCC3)SC2=S)c(=O)n(-c2ccccc2)n1C	ZINC000004832290	557604099	/nfs/dbraw/zinc/60/40/99/557604099.db2.gz	MKIGVKWUTCNDLG-OVGFGYAMSA-N	0	0	411.552	4.089	50	10		HICARN
COc1ccc(N2C(=O)/C(=C\c3cc(Cl)cc(OC)c3O)SC2=S)cc1	ZINC000004949447	557616287	/nfs/dbraw/zinc/61/62/87/557616287.db2.gz	ZSSGRKPZBLXMJV-OVCLIPMQSA-N	0	0	407.900	4.469	50	10		HICARN
CCOC(=O)c1ccccc1NCN1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000004956076	557617120	/nfs/dbraw/zinc/61/71/20/557617120.db2.gz	XXMXLRVFNAJMCA-XNTDXEJSSA-N	0	0	404.538	4.196	50	10		HICARN
Cc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2Cc2ccco2)cc1	ZINC000009358053	557839065	/nfs/dbraw/zinc/83/90/65/557839065.db2.gz	OZKFYJDWITWUCN-UHFFFAOYSA-N	0	0	421.478	4.281	50	10		HICARN
COc1cc(NCc2c(O)ccc3c4c(c(=O)oc32)CCC4)c(OC)cc1Cl	ZINC000009418861	557841847	/nfs/dbraw/zinc/84/18/47/557841847.db2.gz	YYJLTDGPJARKJC-UHFFFAOYSA-N	0	0	401.846	4.270	50	10		HICARN
O=C(CSc1nc2ccccc2o1)Nc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000010077527	557855011	/nfs/dbraw/zinc/85/50/11/557855011.db2.gz	ISJVSCAMAOKCAQ-UHFFFAOYSA-N	0	0	414.442	4.334	50	10		HICARN
Cc1csc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)n1	ZINC000012032432	558311418	/nfs/dbraw/zinc/31/14/18/558311418.db2.gz	QHDNOXMCBCFCDF-MDWZMJQESA-N	0	0	423.972	4.335	50	10		HICARN
Cc1cccc(N2CCN(CN3C(=O)/C(=C\c4cccs4)SC3=S)CC2)c1	ZINC000020081276	558330806	/nfs/dbraw/zinc/33/08/06/558330806.db2.gz	IBMQVALCZUPNCD-QGOAFFKASA-N	0	0	415.609	4.037	50	10		HICARN
Cc1ccccc1N1CCN(CN2C(=O)/C(=C\c3cccs3)SC2=S)CC1	ZINC000020163982	558342821	/nfs/dbraw/zinc/34/28/21/558342821.db2.gz	KOVRQRRBZCHFEK-QGOAFFKASA-N	0	0	415.609	4.037	50	10		HICARN
O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1C[C@@H]1CCCO1	ZINC000012375684	558391924	/nfs/dbraw/zinc/39/19/24/558391924.db2.gz	ZTLRPNBAVPUXJC-NWRYFCBHSA-N	0	0	416.480	4.235	50	10		HICARN
Cc1cc(C)c2c(N)c(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)sc2n1	ZINC000021924290	558455599	/nfs/dbraw/zinc/45/55/99/558455599.db2.gz	OORUPXZHFGDMIB-UHFFFAOYSA-N	0	0	409.511	4.088	50	10		HICARN
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(C)cc1	ZINC000022276167	558475510	/nfs/dbraw/zinc/47/55/10/558475510.db2.gz	XBOWAHWYGCVFFE-GZTJUZNOSA-N	0	0	402.235	4.406	50	10		HICARN
O=C(CSc1nccn1-c1ccc(Br)cc1)c1ccc(O)c(O)c1	ZINC000026046935	558654312	/nfs/dbraw/zinc/65/43/12/558654312.db2.gz	UICZPLYHDXSXJL-UHFFFAOYSA-N	0	0	405.273	4.021	50	10		HICARN
COc1ccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c(OC)c1	ZINC000027530339	558674068	/nfs/dbraw/zinc/67/40/68/558674068.db2.gz	GEPPHEIZRJUPLB-VCHYOVAHSA-N	0	0	414.508	4.068	50	10		HICARN
CCOc1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(OCC)c1	ZINC000015010838	558700367	/nfs/dbraw/zinc/70/03/67/558700367.db2.gz	BNIWNYFZVSRDTN-ZDLGFXPLSA-N	0	0	400.525	4.280	50	10		HICARN
COc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)c1O	ZINC000004556433	558725928	/nfs/dbraw/zinc/72/59/28/558725928.db2.gz	RRAKCUCBSPMMDC-NRFANRHFSA-N	0	0	421.522	4.450	50	10		HICARN
CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1[N+](=O)[O-]	ZINC000015799420	558753785	/nfs/dbraw/zinc/75/37/85/558753785.db2.gz	VHSCHPVETIKPFJ-UHFFFAOYSA-N	0	0	416.389	4.021	50	10		HICARN
N=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(SCc3ccccc3)=NN21	ZINC000015945712	558763496	/nfs/dbraw/zinc/76/34/96/558763496.db2.gz	CPMDPRISLFJYHC-YERBQUFUSA-N	0	0	423.479	4.105	50	10		HICARN
COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c4ccccc43)CC2)cc1	ZINC000048044500	558842814	/nfs/dbraw/zinc/84/28/14/558842814.db2.gz	ZWRFXWGNYNHHHG-UHFFFAOYSA-N	0	0	416.930	4.013	50	10		HICARN
COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C)cc3)C2=O)c1	ZINC000004718961	558918599	/nfs/dbraw/zinc/91/85/99/558918599.db2.gz	IOKBRIWDEYFSLB-AQTBWJFISA-N	0	0	412.536	4.234	50	10		HICARN
CCCCNC(=O)c1ccc2ccnc(N3CCN(c4ccc(OC)cc4)CC3)c2c1	ZINC000065002075	558968894	/nfs/dbraw/zinc/96/88/94/558968894.db2.gz	PHXNSIFYVPACHQ-UHFFFAOYSA-N	0	0	418.541	4.100	50	10		HICARN
Cc1nc(-c2cccc(-c3noc(C(=O)NCc4ccc(N(C)C)cc4)n3)c2)cs1	ZINC000033283731	559045280	/nfs/dbraw/zinc/04/52/80/559045280.db2.gz	USEOYAFGRNCFPU-UHFFFAOYSA-N	0	0	419.510	4.165	50	10		HICARN
Cc1cc(C)c(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)c(C)c1	ZINC000004745489	559046550	/nfs/dbraw/zinc/04/65/50/559046550.db2.gz	JQGQMOHTYYPXMZ-LFIBNONCSA-N	0	0	400.525	4.435	50	10		HICARN
COc1cc2c(cc1NCC(=O)Nc1ccccc1S(C)(=O)=O)oc1ccccc12	ZINC000011619460	559115462	/nfs/dbraw/zinc/11/54/62/559115462.db2.gz	KWHWPSHRNNPXPL-UHFFFAOYSA-N	0	0	424.478	4.049	50	10		HICARN
O=C(c1ccc(Cl)cc1)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S	ZINC000408821966	560556334	/nfs/dbraw/zinc/55/63/34/560556334.db2.gz	BBDOLMSZAGQBKO-NTEUORMPSA-N	0	0	404.856	4.290	50	10		HICARN
O=C(c1cccc([N+](=O)[O-])c1)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S	ZINC000408821988	560556380	/nfs/dbraw/zinc/55/63/80/560556380.db2.gz	BOMHCUFWKSSARK-RIYZIHGNSA-N	0	0	404.856	4.290	50	10		HICARN
N=C1/C(=C/c2ccc([N+](=O)[O-])o2)C(=O)N=C2SC(CCC3CCCCC3)=NN21	ZINC000005278112	560561709	/nfs/dbraw/zinc/56/17/09/560561709.db2.gz	NZUZOMJWTOENJU-GYBVVGCOSA-N	0	0	401.448	4.167	50	10		HICARN
COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C	ZINC000034256764	560593537	/nfs/dbraw/zinc/59/35/37/560593537.db2.gz	AGWMJWDSCNZFBB-GJXXPDGXSA-N	0	0	421.526	4.378	50	10		HICARN
CN1c2ccc(S(=O)(=O)Nc3ccc(O)c4ccccc34)c3cccc(c23)C1=O	ZINC000005516196	560604176	/nfs/dbraw/zinc/60/41/76/560604176.db2.gz	DZUNMEBNTBSVMD-UHFFFAOYSA-N	0	0	404.447	4.089	50	10		HICARN
Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c(C)n1-c1ccc(F)cc1	ZINC000005660157	560641946	/nfs/dbraw/zinc/64/19/46/560641946.db2.gz	CVXUZGHABYGGTO-OAHLLOKOSA-N	0	0	406.457	4.368	50	10		HICARN
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1N=c1[nH]c2ccccc2s1	ZINC000098002370	560759044	/nfs/dbraw/zinc/75/90/44/560759044.db2.gz	IQDAHTUHRGMBCP-NTEUORMPSA-N	0	0	414.493	4.433	50	10		HICARN
Cc1cc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c(C)n1-c1ccc(F)cc1	ZINC000005694600	560786492	/nfs/dbraw/zinc/78/64/92/560786492.db2.gz	RWMBXFLXEXCCFE-UHFFFAOYSA-N	0	0	402.372	4.307	50	10		HICARN
COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(c3ccc(O)cc3)C1=O)S2	ZINC000102151483	560808322	/nfs/dbraw/zinc/80/83/22/560808322.db2.gz	UVCZTMHUCHLMOE-ICFOKQHNSA-N	0	0	402.522	4.177	50	10		HICARN
O=c1cc(-c2ccccc2)oc2c(C[NH+]3CCCC3)c([O-])c(C[NH+]3CCCC3)c([O-])c12	ZINC000020109702	568588466	/nfs/dbraw/zinc/58/84/66/568588466.db2.gz	MBDLIGBOEVUIHH-UHFFFAOYSA-N	0	0	420.509	4.063	50	10		HICARN
N=C1/C(=C/c2ccccc2C(F)(F)F)C(=O)N=C2SC(c3ccccc3)=NN21	ZINC000022228876	568765531	/nfs/dbraw/zinc/76/55/31/568765531.db2.gz	MLROZPMRJQFEIB-XVKZYXQSSA-N	0	0	400.385	4.373	50	10		HICARN
CCOC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C)oc32)C1	ZINC000028890937	568812639	/nfs/dbraw/zinc/81/26/39/568812639.db2.gz	KYUGURSNTALVRM-GOSISDBHSA-N	0	0	421.493	4.249	50	10		HICARN
O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1	ZINC000001186181	568822498	/nfs/dbraw/zinc/82/24/98/568822498.db2.gz	ODIZQFZHSUDGGS-ATVHPVEESA-N	0	0	416.499	4.151	50	10		HICARN
CCOc1ccc(C=C2SC(Nc3ccc(OC)cc3OC)=NC2=O)cc1OC	ZINC000035042704	568836203	/nfs/dbraw/zinc/83/62/03/568836203.db2.gz	ZIZPAIBTFQCABS-YBFXNURJSA-N	0	0	414.483	4.194	50	10		HICARN
COc1cccc(-n2c(C)cc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)c2C)c1	ZINC000029983133	568854788	/nfs/dbraw/zinc/85/47/88/568854788.db2.gz	KOAJAYZPOIDAMK-UHFFFAOYSA-N	0	0	419.525	4.430	50	10		HICARN
O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cc(=O)n(-c2ccccc2)[nH]1	ZINC000003670804	568867339	/nfs/dbraw/zinc/86/73/39/568867339.db2.gz	KMDHLZWWNVHTJO-UHFFFAOYSA-N	0	0	406.269	4.019	50	10		HICARN
Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	ZINC000012596831	568869130	/nfs/dbraw/zinc/86/91/30/568869130.db2.gz	IDCAGQGEDMUNFU-UHFFFAOYSA-N	0	0	409.559	4.031	50	10		HICARN
CN(C)c1ccc(CNC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1	ZINC000012640688	568885357	/nfs/dbraw/zinc/88/53/57/568885357.db2.gz	LLUJXVSRJNXCGN-UHFFFAOYSA-N	0	0	415.537	4.074	50	10		HICARN
CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1	ZINC000001248110	568908591	/nfs/dbraw/zinc/90/85/91/568908591.db2.gz	GBEYTGDQFWMESC-VBKFSLOCSA-N	0	0	418.565	4.377	50	10		HICARN
C[C@H]1CCC[N@H+](Cc2c([O-])ccc3cc(-c4nc5ccccc5n4C)c(=O)oc32)C1	ZINC000001293766	568913008	/nfs/dbraw/zinc/91/30/08/568913008.db2.gz	VDZQHKHXEHZGGY-HNNXBMFYSA-N	0	0	403.482	4.284	50	10	biogenic	HICARN
COc1ccc(N2CCN(C(=O)/C=C/c3cc(C)n(Cc4ccco4)c3C)CC2)cc1	ZINC000008028386	569031825	/nfs/dbraw/zinc/03/18/25/569031825.db2.gz	NTCWOJQZPCOERQ-IZZDOVSWSA-N	0	0	419.525	4.117	50	10		HICARN
O=C(C1=CN(c2cccc(Cl)c2)c2cc(F)ccc2S1(=O)=O)N1CCCCC1	ZINC000065096305	569176799	/nfs/dbraw/zinc/17/67/99/569176799.db2.gz	PIEWSVUBOPPARA-UHFFFAOYSA-N	0	0	420.893	4.258	50	10		HICARN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)on1	ZINC000014318745	569259433	/nfs/dbraw/zinc/25/94/33/569259433.db2.gz	IALBOLUTYDDHET-UHFFFAOYSA-N	0	0	411.889	4.104	50	10		HICARN
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(O)cc1	ZINC000002305425	569372382	/nfs/dbraw/zinc/37/23/82/569372382.db2.gz	PWJJIPLEGRVLQL-PTNGSMBKSA-N	0	0	404.538	4.074	50	10		HICARN
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(C)CC3)C2=O)cc1	ZINC000002355564	569385390	/nfs/dbraw/zinc/38/53/90/569385390.db2.gz	TZZXOFOGHFEAPC-JXAWBTAJSA-N	0	0	402.585	4.235	50	10		HICARN
COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc(O)c1O	ZINC000079495025	569432726	/nfs/dbraw/zinc/43/27/26/569432726.db2.gz	FAPHKDFBMKQCJB-UHFFFAOYSA-N	0	0	421.409	4.410	50	10		HICARN
CN(C)c1ccc([C@H](CNC(=O)c2ccsc2)N2CCc3ccccc3C2)cc1	ZINC000038666781	571054773	/nfs/dbraw/zinc/05/47/73/571054773.db2.gz	QSROKDUEIQFSHZ-QHCPKHFHSA-N	0	0	405.567	4.344	50	10		HICARN
COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)c(OC)c1	ZINC000008658304	571099523	/nfs/dbraw/zinc/09/95/23/571099523.db2.gz	HIAGDYZPOMYYCU-MFOYZWKCSA-N	0	0	401.260	4.272	50	10		HICARN
N=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(c3ccncc3)=NN21	ZINC000009348018	571250385	/nfs/dbraw/zinc/25/03/85/571250385.db2.gz	LTMHRTUOPMFIHU-UHHWSGGGSA-N	0	0	417.425	4.148	50	10		HICARN
CC(=O)Nc1ccc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)cc1	ZINC000009419319	571256640	/nfs/dbraw/zinc/25/66/40/571256640.db2.gz	DQWJRDXBQKLUDO-YBFXNURJSA-N	0	0	408.504	4.370	50	10		HICARN
COc1cccc2c1O[C@H](c1ccc3c(c1)OCO3)N1N=C(c3ccccc3O)C[C@H]21	ZINC000010215863	571297173	/nfs/dbraw/zinc/29/71/73/571297173.db2.gz	XBAYKEZMRSUJSL-HOYKHHGWSA-N	0	0	416.433	4.372	50	10		HICARN
COc1ccccc1NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1	ZINC000002837502	845008678	/nfs/dbraw/zinc/00/86/78/845008678.db2.gz	PKYSOEKQGKEZFQ-XLNRJJMWSA-N	0	0	415.493	4.171	50	10		HICARN
CC[C@H](C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S	ZINC000004846208	845069007	/nfs/dbraw/zinc/06/90/07/845069007.db2.gz	PXZUTVXRTQBYKI-SJWFJVLYSA-N	0	0	415.946	4.173	50	10		HICARN
COc1cc(C=C2SC(NC3CCCCC3)=NC2=O)cc(Br)c1O	ZINC000007209212	845284636	/nfs/dbraw/zinc/28/46/36/845284636.db2.gz	RYDXHPMXSQPBSC-ZROIWOOFSA-N	0	0	411.321	4.056	50	10		HICARN
CCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(OC)cc3)n2)SC1=S	ZINC000012944294	845899153	/nfs/dbraw/zinc/89/91/53/845899153.db2.gz	NSJINLCYBNQFRH-OQLLNIDSSA-N	0	0	419.553	4.057	50	10		HICARN
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=C1SC(NC2CCCC2)=NC1=O	ZINC000014358975	845940659	/nfs/dbraw/zinc/94/06/59/845940659.db2.gz	XNLBXHSMQTWSEK-YBEGLDIGSA-N	0	0	404.898	4.476	50	10		HICARN
N=C1/C(=C/c2ccc(OC(=O)c3cccs3)c(Cl)c2)C(=O)N=C2SC=CN21	ZINC000016247778	846141535	/nfs/dbraw/zinc/14/15/35/846141535.db2.gz	ZTXQSTDOHIWZCY-GDGARQCUSA-N	0	0	415.883	4.398	50	10		HICARN
CNC(=O)c1ccc(CN(C)C(=O)/C=C\c2ccc(N3CCCCCC3)cc2)cc1	ZINC000096912660	852558374	/nfs/dbraw/zinc/55/83/74/852558374.db2.gz	CNOHVZCZKFEEQJ-WJDWOHSUSA-N	0	0	405.542	4.098	50	10		HICARN
O=c1c2ccccc2nc(/C=C\c2ccc(N3CCOCC3)cc2)n1-c1ccccc1	ZINC000097993386	852648081	/nfs/dbraw/zinc/64/80/81/852648081.db2.gz	QOCWYZHBOQQVOE-QINSGFPZSA-N	0	0	409.489	4.393	50	10		HICARN
CCN(Cc1ccccc1)c1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1	ZINC000254607920	854212615	/nfs/dbraw/zinc/21/26/15/854212615.db2.gz	LUCXGNACLKAZHZ-UHFFFAOYSA-N	0	0	411.530	4.483	50	10		HICARN
O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc(N=Nc2ccccc2)cc1	ZINC000254862575	854216365	/nfs/dbraw/zinc/21/63/65/854216365.db2.gz	YJWIWISCRWVVML-NRFANRHFSA-N	0	0	417.421	4.424	50	10		HICARN
CN1CCCc2cc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)ccc21	ZINC000009420151	132234296	/nfs/dbraw/zinc/23/42/96/132234296.db2.gz	FFDNPHXEBSYUAW-VXLYETTFSA-N	0	0	410.520	4.204	50	10		HICARN
CC1CCN(c2cc(N3CCN(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)CC1	ZINC000006737999	132314342	/nfs/dbraw/zinc/31/43/42/132314342.db2.gz	PIIWIUSGSNYEOH-UHFFFAOYSA-N	0	0	416.525	4.027	50	10		HICARN
O=C1c2ccccc2N[C@H](c2cc(O)c(O)c(Cl)c2)N1c1ccc2c(c1)OCO2	ZINC000007364023	132324188	/nfs/dbraw/zinc/32/41/88/132324188.db2.gz	OTMXLRCQRUJOBQ-FQEVSTJZSA-N	0	0	410.813	4.251	50	10		HICARN
CN(C)c1ccc([C@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccccc2)cc1	ZINC000015412427	132461563	/nfs/dbraw/zinc/46/15/63/132461563.db2.gz	ATYIBWVVCZYAAU-QHCPKHFHSA-N	0	0	403.457	4.013	50	10		HICARN
COc1ccc(N2CCOCC2)c(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1	ZINC000007496887	536705690	/nfs/dbraw/zinc/70/56/90/536705690.db2.gz	PFDZYGITVBNZOF-UHFFFAOYSA-N	0	0	411.285	4.100	50	10		HICARN
COc1ccc(N2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCC5)cc1OC	ZINC000005516522	536707038	/nfs/dbraw/zinc/70/70/38/536707038.db2.gz	JNJFBTYIDHRZQX-UHFFFAOYSA-N	0	0	413.857	4.309	50	10		HICARN
CCN1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N(CC)C1=S	ZINC000000682038	557056279	/nfs/dbraw/zinc/05/62/79/557056279.db2.gz	SMNKRWGZEQMSSB-UHFFFAOYSA-N	0	0	420.943	4.463	50	10		HICARN
COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCc1ccc(Cl)cc1	ZINC000001011791	557141959	/nfs/dbraw/zinc/14/19/59/557141959.db2.gz	KIXZGMPHAKIXFY-UHFFFAOYSA-N	0	0	402.830	4.147	50	10		HICARN
CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)C(=O)O1	ZINC000001048670	557158215	/nfs/dbraw/zinc/15/82/15/557158215.db2.gz	NJPCNNCESDCKRC-UHFFFAOYSA-N	0	0	411.288	4.093	50	10		HICARN
CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)S1	ZINC000001149496	557210005	/nfs/dbraw/zinc/21/00/05/557210005.db2.gz	QULRTQIBULGSFB-MFOYZWKCSA-N	0	0	404.850	4.165	50	10		HICARN
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)sc2c1CCCC2	ZINC000001161519	557218486	/nfs/dbraw/zinc/21/84/86/557218486.db2.gz	CFNROUXGDAOCPY-AWEZNQCLSA-N	0	0	405.516	4.008	50	10	biogenic	HICARN
Cc1ccc2c(c1)/C(=C1/SC(=S)N(Cc3ccc(Cl)cc3)C1=O)C(=O)N2	ZINC000001174808	557227002	/nfs/dbraw/zinc/22/70/02/557227002.db2.gz	NBJAVKBYAQUAMR-NXVVXOECSA-N	0	0	400.912	4.372	50	10		HICARN
CC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)cc1	ZINC000001180711	557230495	/nfs/dbraw/zinc/23/04/95/557230495.db2.gz	INNDXPMYLBKBMW-UYRXBGFRSA-N	0	0	424.547	4.428	50	10		HICARN
CCCCN1C(=O)C(=Cc2ccc(OCC)c(OC)c2)C(=O)N(CCCC)C1=S	ZINC000002178665	557322367	/nfs/dbraw/zinc/32/23/67/557322367.db2.gz	YBXFSTJUFVUHQB-UHFFFAOYSA-N	0	0	418.559	4.033	50	10		HICARN
CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2OC)SC1=S	ZINC000002993920	557438205	/nfs/dbraw/zinc/43/82/05/557438205.db2.gz	JHBLQVWHQGMBHI-RGEXLXHISA-N	0	0	415.536	4.374	50	10		HICARN
CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(N(C)C)cc1	ZINC000003655203	557496952	/nfs/dbraw/zinc/49/69/52/557496952.db2.gz	JZKUIWPFJOAPIT-OAQYLSRUSA-N	0	0	421.526	4.161	50	10		HICARN
CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1	ZINC000004365520	557547259	/nfs/dbraw/zinc/54/72/59/557547259.db2.gz	IPAJDLMMTVZVPP-UHFFFAOYSA-N	0	0	415.537	4.347	50	10		HICARN
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)N=C2C)cc1OC	ZINC000004649361	557575506	/nfs/dbraw/zinc/57/55/06/557575506.db2.gz	GTKFFTVHGQFYCZ-UYRXBGFRSA-N	0	0	408.454	4.077	50	10		HICARN
COc1cccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1	ZINC000004755393	557593468	/nfs/dbraw/zinc/59/34/68/557593468.db2.gz	MWNWSWDVGSHGAL-CPNJWEJPSA-N	0	0	415.536	4.374	50	10		HICARN
Cc1ccc(C)c(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1	ZINC000004891433	557610392	/nfs/dbraw/zinc/61/03/92/557610392.db2.gz	YGXFPWZALLBMIJ-UHFFFAOYSA-N	0	0	400.390	4.239	50	10		HICARN
O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1cccc(Cl)c1	ZINC000008435285	557788850	/nfs/dbraw/zinc/78/88/50/557788850.db2.gz	BIQJDPPUWHETRL-PJQLUOCWSA-N	0	0	420.855	4.383	50	10		HICARN
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccccc2C)C1=O	ZINC000009188454	557825890	/nfs/dbraw/zinc/82/58/90/557825890.db2.gz	GCKDBGDGYXJZTM-ZDLGFXPLSA-N	0	0	401.509	4.427	50	10		HICARN
CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000009304471	557835685	/nfs/dbraw/zinc/83/56/85/557835685.db2.gz	PYMSNOCMPJQTAQ-FOWTUZBSSA-N	0	0	418.565	4.377	50	10		HICARN
Cc1ccc2[nH]c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)cc2c1	ZINC000020282308	558353685	/nfs/dbraw/zinc/35/36/85/558353685.db2.gz	IJDCCBHLWJDCHW-ZDLGFXPLSA-N	0	0	410.495	4.377	50	10		HICARN
COC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)c2=O)cc1	ZINC000020437795	558363136	/nfs/dbraw/zinc/36/31/36/558363136.db2.gz	YLDNFHXYLOOKQP-OAHLLOKOSA-N	0	0	423.465	4.309	50	10		HICARN
CC(C)CNC(=O)c1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C	ZINC000012627655	558440230	/nfs/dbraw/zinc/44/02/30/558440230.db2.gz	QKGWSGSYMXXDEN-UHFFFAOYSA-N	0	0	422.554	4.204	50	10		HICARN
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccccc3)on2)cc1	ZINC000021785969	558448693	/nfs/dbraw/zinc/44/86/93/558448693.db2.gz	OJRUVZVBAXHTPH-OAQYLSRUSA-N	0	0	405.498	4.229	50	10		HICARN
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O	ZINC000013581679	558544943	/nfs/dbraw/zinc/54/49/43/558544943.db2.gz	FPARGSRBKNWXAH-UNOMPAQXSA-N	0	0	415.536	4.156	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(OC)c1OC	ZINC000013715255	558578746	/nfs/dbraw/zinc/57/87/46/558578746.db2.gz	WMSQUAMSJWNGSR-YBEGLDIGSA-N	0	0	405.472	4.257	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1O	ZINC000013943857	558605603	/nfs/dbraw/zinc/60/56/03/558605603.db2.gz	GPDRCFKWKBDNIM-NVNXTCNLSA-N	0	0	407.900	4.469	50	10		HICARN
CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000004536601	558655533	/nfs/dbraw/zinc/65/55/33/558655533.db2.gz	AWZWLCALSRIVFJ-GHRIWEEISA-N	0	0	400.525	4.462	50	10		HICARN
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(O)cc3)C2=O)cc1	ZINC000015746795	558751690	/nfs/dbraw/zinc/75/16/90/558751690.db2.gz	COTUPXWPQGWZOT-KGENOOAVSA-N	0	0	416.408	4.152	50	10		HICARN
CCCCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC	ZINC000016115395	558772397	/nfs/dbraw/zinc/77/23/97/558772397.db2.gz	JDWNCLSUQNLNCV-BRYHAGSVSA-N	0	0	407.557	4.254	50	10		HICARN
COc1ccc(N2CCN(C(=O)CSCc3ccc(F)cc3Cl)CC2)cc1	ZINC000033047552	558883412	/nfs/dbraw/zinc/88/34/12/558883412.db2.gz	IGVSJMAUHNZYGN-UHFFFAOYSA-N	0	0	408.926	4.070	50	10		HICARN
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc21	ZINC000004679910	558890923	/nfs/dbraw/zinc/89/09/23/558890923.db2.gz	VIPMWRFWZSNCJZ-JWGURIENSA-N	0	0	413.473	4.461	50	10		HICARN
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1	ZINC000004699104	558907224	/nfs/dbraw/zinc/90/72/24/558907224.db2.gz	PEOXJHHFAUESGQ-HKWRFOASSA-N	0	0	409.482	4.036	50	10		HICARN
COc1cc2c(cc1NCC(=O)NC(=O)NCCc1cccs1)oc1ccccc12	ZINC000011619452	559115421	/nfs/dbraw/zinc/11/54/21/559115421.db2.gz	SYQWPBVBVDPCSY-UHFFFAOYSA-N	0	0	423.494	4.137	50	10		HICARN
CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Cn2cncn2)cc1	ZINC000100422631	559134997	/nfs/dbraw/zinc/13/49/97/559134997.db2.gz	CPSWEWPPOWVOAV-XLNRJJMWSA-N	0	0	400.486	4.215	50	10		HICARN
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(CC)NCCc1c[nH]cn1	ZINC000101771924	559147974	/nfs/dbraw/zinc/14/79/74/559147974.db2.gz	VUNPOVHVEQVHPQ-XDJHFCHBSA-N	0	0	408.531	4.019	50	10		HICARN
CCOc1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	ZINC000004835422	559165516	/nfs/dbraw/zinc/16/55/16/559165516.db2.gz	UFHVOKOCOLSGGO-UHFFFAOYSA-N	0	0	410.445	4.427	50	10		HICARN
COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc([N+](=O)[O-])s3)c2C)cc1	ZINC000004835830	559165861	/nfs/dbraw/zinc/16/58/61/559165861.db2.gz	PNTCHVDXTZIYRV-UHFFFAOYSA-N	0	0	414.439	4.112	50	10		HICARN
CSC1=NSC2=NC(=O)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C(=N)N12	ZINC000004971108	559220391	/nfs/dbraw/zinc/22/03/91/559220391.db2.gz	BKCSEELQJNFTBC-QNMDCZIWSA-N	0	0	409.540	4.093	50	10		HICARN
CCOc1ccc(-c2ccc(/C=C3\SC(=S)N(CC)C3=O)o2)c([N+](=O)[O-])c1	ZINC000005025794	559230183	/nfs/dbraw/zinc/23/01/83/559230183.db2.gz	IFJVOXSTWGOOLJ-YBEGLDIGSA-N	0	0	404.469	4.475	50	10		HICARN
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C(=O)N1c1ccccc1Cl	ZINC000135883878	559276361	/nfs/dbraw/zinc/27/63/61/559276361.db2.gz	GZAAGQUPLAXGDE-PCCBWWKXSA-N	0	0	420.852	4.097	50	10		HICARN
CC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccco3)SC2=S)cc1	ZINC000005234202	560548027	/nfs/dbraw/zinc/54/80/27/560548027.db2.gz	KOYRUMDAYJMBSP-SFQUDFHCSA-N	0	0	414.508	4.102	50	10		HICARN
Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1CCc1ccccc1)C(=O)N2C	ZINC000005274377	560561320	/nfs/dbraw/zinc/56/13/20/560561320.db2.gz	NEYBUSFHILZZRG-XLNRJJMWSA-N	0	0	421.500	4.465	50	10		HICARN
CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)cc1	ZINC000102759330	560825949	/nfs/dbraw/zinc/82/59/49/560825949.db2.gz	NVMAYDQLCQMJDL-XPWALMASSA-N	0	0	414.461	4.006	50	10		HICARN
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OC)c1OC	ZINC000015684638	560855843	/nfs/dbraw/zinc/85/58/43/560855843.db2.gz	JNJZAJBSNIXVOG-RGEXLXHISA-N	0	0	407.466	4.280	50	10		HICARN
CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S	ZINC000008226506	568494428	/nfs/dbraw/zinc/49/44/28/568494428.db2.gz	ZTUDHJCBLKGMSB-LGMDPLHJSA-N	0	0	416.593	4.388	50	10		HICARN
Cc1cc(C)cc(-n2cccc2/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1	ZINC000020211325	568594438	/nfs/dbraw/zinc/59/44/38/568594438.db2.gz	FTNJTPCXJHDQHQ-IAMGCYTJSA-N	0	0	417.416	4.276	50	10		HICARN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)o1	ZINC000020238954	568595929	/nfs/dbraw/zinc/59/59/29/568595929.db2.gz	RALCHXJRBLKXOH-XYTBZZNTSA-N	0	0	423.454	4.438	50	10		HICARN
C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC=C(c2ccc(N(C)C)cc2)C1	ZINC000095454730	568616347	/nfs/dbraw/zinc/61/63/47/568616347.db2.gz	DSESNZWIFSWZLP-HNNXBMFYSA-N	0	0	405.458	4.171	50	10		HICARN
COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(N(C)C)cc1	ZINC000021891886	568759400	/nfs/dbraw/zinc/75/94/00/568759400.db2.gz	WFPHUFJZXDZXGD-XMMPIXPASA-N	0	0	418.541	4.194	50	10		HICARN
CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)OC(C)(C(C)(C)C)OC3=O)o2)cc1	ZINC000001185416	568822461	/nfs/dbraw/zinc/82/24/61/568822461.db2.gz	NMMKIDWMLRPIKN-UHFFFAOYSA-N	0	0	412.438	4.369	50	10		HICARN
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OC)c1OC(C)=O	ZINC000001192928	568823100	/nfs/dbraw/zinc/82/31/00/568823100.db2.gz	CZDZUJDVWYMQEC-GZTJUZNOSA-N	0	0	415.492	4.035	50	10		HICARN
COc1ccc(OC)c(NC(=O)COC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1	ZINC000005924995	568829858	/nfs/dbraw/zinc/82/98/58/568829858.db2.gz	ZYCYTNWMPIIIAD-UHFFFAOYSA-N	0	0	422.481	4.215	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	ZINC000005934415	568830236	/nfs/dbraw/zinc/83/02/36/568830236.db2.gz	NPSODCHLECNJIQ-UHFFFAOYSA-N	0	0	423.538	4.131	50	10		HICARN
COc1ccc([C@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)c(OC)c1	ZINC000001216697	568835345	/nfs/dbraw/zinc/83/53/45/568835345.db2.gz	RCLKJIVDBWUALW-QHCPKHFHSA-N	0	0	414.461	4.477	50	10		HICARN
CCOC(=O)[C@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1	ZINC000012543637	568849111	/nfs/dbraw/zinc/84/91/11/568849111.db2.gz	OZQWJUKHJLGHEE-KRWDZBQOSA-N	0	0	402.922	4.205	50	10		HICARN
COc1ccc(N2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1	ZINC000057547859	568852807	/nfs/dbraw/zinc/85/28/07/568852807.db2.gz	YTYQJZZXPDYTKF-CQSZACIVSA-N	0	0	408.329	4.151	50	10		HICARN
COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1	ZINC000057547855	568852873	/nfs/dbraw/zinc/85/28/73/568852873.db2.gz	YTYQJZZXPDYTKF-AWEZNQCLSA-N	0	0	408.329	4.151	50	10		HICARN
COc1cccc2c1O[C@H](c1ccc3c(c1)OCO3)N1N=C(c3ccccc3O)C[C@@H]21	ZINC000227486577	568855348	/nfs/dbraw/zinc/85/53/48/568855348.db2.gz	XBAYKEZMRSUJSL-MHECFPHRSA-N	0	0	416.433	4.372	50	10		HICARN
CCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C	ZINC000012649328	568885994	/nfs/dbraw/zinc/88/59/94/568885994.db2.gz	ITMJYUCQUQWGLM-AWEZNQCLSA-N	0	0	418.950	4.406	50	10		HICARN
Cc1cc(C(=O)COc2ncnc3cc([N+](=O)[O-])ccc32)c(C)n1-c1ccccc1	ZINC000003451568	568905749	/nfs/dbraw/zinc/90/57/49/568905749.db2.gz	XYAFGVFMUJMCED-UHFFFAOYSA-N	0	0	402.410	4.207	50	10		HICARN
COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S	ZINC000001276951	568909980	/nfs/dbraw/zinc/90/99/80/568909980.db2.gz	PFRYVUGINQQXRS-IIMQCXAKSA-N	0	0	413.520	4.028	50	10		HICARN
Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1F	ZINC000263619613	568912632	/nfs/dbraw/zinc/91/26/32/568912632.db2.gz	ZOXGPOIAEMUXIZ-UHFFFAOYSA-N	0	0	418.465	4.053	50	10		HICARN
CC1(C)OC(=O)C(=Cc2cn(Cc3cnc(Cl)s3)c3ccccc23)C(=O)O1	ZINC000001399323	568926026	/nfs/dbraw/zinc/92/60/26/568926026.db2.gz	FYXPAXMCORNGMU-UHFFFAOYSA-N	0	0	402.859	4.019	50	10		HICARN
COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1O	ZINC000001416310	568933981	/nfs/dbraw/zinc/93/39/81/568933981.db2.gz	VZMOZVHUQALSMD-LZYBPNLTSA-N	0	0	407.900	4.469	50	10		HICARN
COc1ccc(-c2cc3ccc([O-])c(C[NH+]4CCC(C)CC4)c3oc2=O)c(OC)c1	ZINC000004084429	568939636	/nfs/dbraw/zinc/93/96/36/568939636.db2.gz	MYIMGZYQIHKRPP-UHFFFAOYSA-N	0	0	409.482	4.415	50	10	biogenic	HICARN
CN(CC(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)C1CCCCC1	ZINC000006049535	568984184	/nfs/dbraw/zinc/98/41/84/568984184.db2.gz	TVFNWXBHQKHVGN-UHFFFAOYSA-N	0	0	410.901	4.318	50	10		HICARN
O=C1NC(=S)C(=Cc2cc(N3C(=O)C4=C(CCCC4)C3=O)ccc2Cl)S1	ZINC000085389529	568984189	/nfs/dbraw/zinc/98/41/89/568984189.db2.gz	SJAKWGBRNCYOOC-RIYZIHGNSA-N	0	0	404.900	4.209	50	10		HICARN
Cc1cc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000085421472	568987900	/nfs/dbraw/zinc/98/79/00/568987900.db2.gz	HUVYGXUSGCNMSP-ODLFYWEKSA-N	0	0	423.469	4.493	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3sc4ncccc4c3-n3cccc3)CC2)cc1	ZINC000015786008	569006840	/nfs/dbraw/zinc/00/68/40/569006840.db2.gz	TYDZBVULZUCTSE-UHFFFAOYSA-N	0	0	418.522	4.058	50	10		HICARN
COC(=O)c1ccc([C@@H]2N=C(c3cccc(OC)c3)C[C@@H](c3ccccc3O)N2)cc1	ZINC000053363477	569027653	/nfs/dbraw/zinc/02/76/53/569027653.db2.gz	NGGFYPRROHKQIF-LADGPHEKSA-N	0	0	416.477	4.410	50	10		HICARN
C[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc21	ZINC000019938609	569064200	/nfs/dbraw/zinc/06/42/00/569064200.db2.gz	PDDVWHNZUGPPBD-HNNXBMFYSA-N	0	0	407.466	4.311	50	10		HICARN
CCOc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	ZINC000006620420	569074913	/nfs/dbraw/zinc/07/49/13/569074913.db2.gz	POHOGRRKLVMBLK-UHFFFAOYSA-N	0	0	421.449	4.261	50	10		HICARN
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(C)s3)c2C)cc1	ZINC000006830867	569147261	/nfs/dbraw/zinc/14/72/61/569147261.db2.gz	FIRZGGFIXOJNCW-UHFFFAOYSA-N	0	0	401.513	4.016	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3cccc(NC(=O)C4CCCCC4)c3)CC2)cc1	ZINC000036396760	569169220	/nfs/dbraw/zinc/16/92/20/569169220.db2.gz	HEERURVVRJZLKW-UHFFFAOYSA-N	0	0	421.541	4.176	50	10		HICARN
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3cccc(Cl)c3C)sc2n1	ZINC000036645732	569217132	/nfs/dbraw/zinc/21/71/32/569217132.db2.gz	LMWBVMUIVISOMS-UHFFFAOYSA-N	0	0	403.891	4.253	50	10		HICARN
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1I	ZINC000013590634	569256580	/nfs/dbraw/zinc/25/65/80/569256580.db2.gz	UZOQBNJOKCBJTR-KAMYIIQDSA-N	0	0	403.223	4.010	50	10		HICARN
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1cnns1	ZINC000170641977	569283382	/nfs/dbraw/zinc/28/33/82/569283382.db2.gz	QWVUEIGGEFSEFT-OAHLLOKOSA-N	0	0	406.433	4.463	50	10		HICARN
O=C1NC(=S)S/C1=C/c1ccc(-c2ccc(I)cc2)o1	ZINC000003023821	569322843	/nfs/dbraw/zinc/32/28/43/569322843.db2.gz	WXZARFAKVMKUNB-KPKJPENVSA-N	0	0	413.261	4.040	50	10		HICARN
CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3F)c(OC)c2)SC1=S	ZINC000008722494	571107150	/nfs/dbraw/zinc/10/71/50/571107150.db2.gz	KPCPAACYVOWSMP-BOPFTXTBSA-N	0	0	417.483	4.275	50	10		HICARN
COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCCOc1ccccc1	ZINC000009113239	571223597	/nfs/dbraw/zinc/22/35/97/571223597.db2.gz	OCFCKKLQHZOOKQ-WJDWOHSUSA-N	0	0	421.927	4.295	50	10		HICARN
CCOc1ccc(N(C)[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000245380644	571227071	/nfs/dbraw/zinc/22/70/71/571227071.db2.gz	FGOPNBYTPYPUTN-NHCUHLMSSA-N	0	0	422.978	4.465	50	10		HICARN
Cc1cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccccc1F	ZINC000009635997	571275168	/nfs/dbraw/zinc/27/51/68/571275168.db2.gz	LIUHINKCYBJGSW-UHFFFAOYSA-N	0	0	407.470	4.445	50	10		HICARN
CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)OC)cc3)cc2)SC1=S	ZINC000005127964	845083882	/nfs/dbraw/zinc/08/38/82/845083882.db2.gz	BHTQMIHXWOBABY-LDADJPATSA-N	0	0	413.520	4.273	50	10		HICARN
Cc1cccc(COC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1	ZINC000008728834	845547808	/nfs/dbraw/zinc/54/78/08/845547808.db2.gz	KQDDOOKGXRDTEU-LDADJPATSA-N	0	0	415.511	4.469	50	10		HICARN
Cc1nn(C)c(C)c1/C=C/C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2	ZINC000009530551	845573200	/nfs/dbraw/zinc/57/32/00/845573200.db2.gz	MFXSIALNCJSHKE-VQHVLOKHSA-N	0	0	409.511	4.116	50	10		HICARN
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Br)c1OCC	ZINC000033383318	848134198	/nfs/dbraw/zinc/13/41/98/848134198.db2.gz	RDSZQMSGICANOO-UKTHLTGXSA-N	0	0	416.362	4.468	50	10		HICARN
Cc1c(NC2=NC(=O)C(=CC=Cc3ccccc3)S2)c(=O)n(-c2ccccc2)n1C	ZINC000096905120	852557179	/nfs/dbraw/zinc/55/71/79/852557179.db2.gz	ONHJOCKLMNPNSC-YDJMSOKMSA-N	0	0	416.506	4.123	50	10		HICARN
Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(OCc3nccn3C)cc2)S1	ZINC000097147301	852585968	/nfs/dbraw/zinc/58/59/68/852585968.db2.gz	RRPTWYSCTWIDNX-UYRXBGFRSA-N	0	0	404.495	4.390	50	10		HICARN
CC1=NNC(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1	ZINC000100151342	852656885	/nfs/dbraw/zinc/65/68/85/852656885.db2.gz	CWRIWFGJBTTZSH-WOJGMQOQSA-N	0	0	407.271	4.191	50	10		HICARN
O=C1N=C(N2CCN(c3cccc4ccccc43)CC2)S/C1=C\c1ccccc1O	ZINC000002314244	132252460	/nfs/dbraw/zinc/25/24/60/132252460.db2.gz	UGMLYOJOWWHJOP-JWGURIENSA-N	0	0	415.518	4.338	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3cccn3CCCOc3c(C)cccc3C)C(=N)N2O1	ZINC000032969699	520854748	/nfs/dbraw/zinc/85/47/48/520854748.db2.gz	WECCXVKSFJLFBS-NSMWAFFQSA-N	0	0	404.470	4.024	50	10		HICARN
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2cc(C)ccc2nc1N1CCOCC1	ZINC000033148361	520897628	/nfs/dbraw/zinc/89/76/28/520897628.db2.gz	NUVWWZIECKDUBZ-JWGURIENSA-N	0	0	412.493	4.186	50	10		HICARN
COc1ccccc1-c1cn2c(C)c(C(=O)NCc3ccc(N(C)C)cc3)sc2n1	ZINC000040451177	524275620	/nfs/dbraw/zinc/27/56/20/524275620.db2.gz	AYGBBXBJQQBAOC-UHFFFAOYSA-N	0	0	420.538	4.376	50	10		HICARN
COc1ccc(N2CCN(c3ncnc4c3c(C)c(C)n4-c3ccccc3)CC2)cc1	ZINC000032960426	524437923	/nfs/dbraw/zinc/43/79/23/524437923.db2.gz	MDIAVVQQWCBPSR-UHFFFAOYSA-N	0	0	413.525	4.373	50	10		HICARN
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccnc1	ZINC000033153868	526090306	/nfs/dbraw/zinc/09/03/06/526090306.db2.gz	SHINIMDGACQAGO-JAIQZWGSSA-N	0	0	406.873	4.235	50	10		HICARN
COc1ccc(CN2C(=O)/C(=C/c3cc4c(cc3Cl)OCO4)SC2=S)cc1	ZINC000001146021	557207857	/nfs/dbraw/zinc/20/78/57/557207857.db2.gz	QJAPOZUOQPMEEV-IDUWFGFVSA-N	0	0	419.911	4.479	50	10		HICARN
CN1C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)N(C)C1=O	ZINC000001147819	557209123	/nfs/dbraw/zinc/20/91/23/557209123.db2.gz	OGYOVXNTBTWGFO-UHFFFAOYSA-N	0	0	419.264	4.006	50	10		HICARN
CCOc1cc(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1O	ZINC000001167891	557222193	/nfs/dbraw/zinc/22/21/93/557222193.db2.gz	NEUCAKQINGVMFH-MHWRWJLKSA-N	0	0	401.260	4.360	50	10		HICARN
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1	ZINC000001171433	557224344	/nfs/dbraw/zinc/22/43/44/557224344.db2.gz	BUOCOYLLPODLCO-XMMPIXPASA-N	0	0	413.521	4.358	50	10		HICARN
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(O)c3)C2=O)cc1	ZINC000001180621	557230506	/nfs/dbraw/zinc/23/05/06/557230506.db2.gz	AKSSAECCIWADQL-LDADJPATSA-N	0	0	412.536	4.321	50	10		HICARN
CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2cc(C)on2)C1=O	ZINC000001185228	557233154	/nfs/dbraw/zinc/23/31/54/557233154.db2.gz	AZIQAVKAMBNWCP-VKDWSQHSSA-N	0	0	413.524	4.159	50	10		HICARN
Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)C)cc1	ZINC000001217310	557246536	/nfs/dbraw/zinc/24/65/36/557246536.db2.gz	XASVPRUBFRJVMG-IBGZPJMESA-N	0	0	414.962	4.146	50	10		HICARN
COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc([N+](=O)[O-])c1OC(C)=O	ZINC000002305615	557335944	/nfs/dbraw/zinc/33/59/44/557335944.db2.gz	NLCRYHPAFXXSRQ-VGOFMYFVSA-N	0	0	415.785	4.163	50	10		HICARN
CCN1C(=O)/C(=C2\c3ccccc3N(Cc3ccccc3Cl)C2=O)SC1=S	ZINC000002672182	557366690	/nfs/dbraw/zinc/36/66/90/557366690.db2.gz	RDMFGWHISCULNP-MSUUIHNZSA-N	0	0	414.939	4.478	50	10		HICARN
CCOc1cc(/C=C2/C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)ccc1O	ZINC000003858723	557501346	/nfs/dbraw/zinc/50/13/46/557501346.db2.gz	APSYQQKVVYVZKL-POCCGPMPSA-N	0	0	409.442	4.234	50	10		HICARN
COc1ccccc1OCCCOc1ccc(C=C2SC(=S)NC2=O)cc1	ZINC000004755052	557593239	/nfs/dbraw/zinc/59/32/39/557593239.db2.gz	NEYOQYCWWREKPP-QGOAFFKASA-N	0	0	401.509	4.032	50	10		HICARN
O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1	ZINC000008441618	557789695	/nfs/dbraw/zinc/78/96/95/557789695.db2.gz	UCHJBZAGODCWHR-UHFFFAOYSA-N	0	0	420.877	4.242	50	10		HICARN
COc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000008764041	557806081	/nfs/dbraw/zinc/80/60/81/557806081.db2.gz	HDCNKWLTFRHVMP-FOWTUZBSSA-N	0	0	418.565	4.377	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1O	ZINC000009188585	557826031	/nfs/dbraw/zinc/82/60/31/557826031.db2.gz	CUXJBMYRKMGJJC-YVLHZVERSA-N	0	0	401.509	4.432	50	10		HICARN
O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1C[C@H]1CCCO1	ZINC000019893490	558303455	/nfs/dbraw/zinc/30/34/55/558303455.db2.gz	UXRUPTHZIWQYIV-DISPHTKASA-N	0	0	416.480	4.235	50	10		HICARN
COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(F)c3)C2=O)cc(OC)c1OC	ZINC000012368492	558388847	/nfs/dbraw/zinc/38/88/47/558388847.db2.gz	INPCMBZBPVQJGB-LZYBPNLTSA-N	0	0	423.462	4.396	50	10		HICARN
COc1ccc(N2CCn3c(nc4cc(NC(=O)c5ccc(F)cc5)ccc43)C2)cc1	ZINC000012420899	558403526	/nfs/dbraw/zinc/40/35/26/558403526.db2.gz	XREROXYJVRQFAF-UHFFFAOYSA-N	0	0	416.456	4.457	50	10		HICARN
O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1ccc2c(c1)OCO2	ZINC000022239501	558471458	/nfs/dbraw/zinc/47/14/58/558471458.db2.gz	UCYRFEHGJZVEEP-GOSISDBHSA-N	0	0	422.506	4.433	50	10		HICARN
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)c(C)c1	ZINC000013647361	558557249	/nfs/dbraw/zinc/55/72/49/558557249.db2.gz	MCIJNDPYKNYHRD-WQRHYEAKSA-N	0	0	407.520	4.345	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(OC)c1OC	ZINC000013714895	558578520	/nfs/dbraw/zinc/57/85/20/558578520.db2.gz	UMVSLCIFTOKUKX-SXGWCWSVSA-N	0	0	405.472	4.257	50	10		HICARN
COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1/SC(=S)N(Cc2ccco2)C1=O	ZINC000013721343	558582182	/nfs/dbraw/zinc/58/21/82/558582182.db2.gz	MLJWXJKYOILNPK-OVCLIPMQSA-N	0	0	416.455	4.088	50	10		HICARN
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(F)cc3)C2=O)cc1	ZINC000013809998	558595241	/nfs/dbraw/zinc/59/52/41/558595241.db2.gz	FINRLBUWFPBMIT-ATVHPVEESA-N	0	0	400.500	4.364	50	10		HICARN
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1ccccc1	ZINC000013893637	558600018	/nfs/dbraw/zinc/60/00/18/558600018.db2.gz	LQHDYJHPDBZRGM-XMHGGMMESA-N	0	0	415.536	4.374	50	10		HICARN
CCN1C(=O)/C(=C\c2ccc(/C=C3\SC(=S)N(CC)C3=O)cc2)SC1=S	ZINC000013896785	558600530	/nfs/dbraw/zinc/60/05/30/558600530.db2.gz	DZVCMWCPGJCNEA-ZKLMZBBOSA-N	0	0	420.606	4.129	50	10		HICARN
CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1	ZINC000013942083	558604852	/nfs/dbraw/zinc/60/48/52/558604852.db2.gz	BEMPDAPXMYAQEK-VVTMIQRTSA-N	0	0	412.536	4.410	50	10		HICARN
CCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1	ZINC000014009135	558612835	/nfs/dbraw/zinc/61/28/35/558612835.db2.gz	JFVUMAHUDRZBTK-JWGURIENSA-N	0	0	421.493	4.009	50	10		HICARN
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1C	ZINC000015229556	558729200	/nfs/dbraw/zinc/72/92/00/558729200.db2.gz	XVAQLGVMTKOWHR-WQRHYEAKSA-N	0	0	407.520	4.345	50	10		HICARN
Cn1c(-c2ccccc2)cnc1SC[C@@H]1CSc2nnc(-c3cccnc3)n21	ZINC000030571130	558733126	/nfs/dbraw/zinc/73/31/26/558733126.db2.gz	BRCYKFBDNVBQES-MRXNPFEDSA-N	0	0	406.540	4.180	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(F)cc3)C2=O)cc1	ZINC000015746445	558751664	/nfs/dbraw/zinc/75/16/64/558751664.db2.gz	LPOFKSQFPMUSEZ-ATVHPVEESA-N	0	0	416.499	4.064	50	10		HICARN
O=C(Nc1ccccc1Cl)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	ZINC000004580260	558762601	/nfs/dbraw/zinc/76/26/01/558762601.db2.gz	IZHDBQSTMNFGAA-UHFFFAOYSA-N	0	0	406.781	4.276	50	10		HICARN
Cc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000016193613	558777527	/nfs/dbraw/zinc/77/75/27/558777527.db2.gz	XTEVAKVAKFBAAH-MOSHPQCFSA-N	0	0	402.410	4.100	50	10		HICARN
COc1ccc(N2CCN(c3ncccc3-c3nc(-c4ccccc4)no3)CC2)cc1	ZINC000033004290	558827053	/nfs/dbraw/zinc/82/70/53/558827053.db2.gz	DGYOIGLGXKCKGP-UHFFFAOYSA-N	0	0	413.481	4.134	50	10		HICARN
O=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCCO1	ZINC000018008245	558829443	/nfs/dbraw/zinc/82/94/43/558829443.db2.gz	GOOBZODYDNMMBG-WLNNKCLUSA-N	0	0	408.458	4.337	50	10		HICARN
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000004615236	558858848	/nfs/dbraw/zinc/85/88/48/558858848.db2.gz	NJDNUVLULKHXRW-UHFFFAOYSA-N	0	0	406.781	4.276	50	10		HICARN
CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(Cl)c2)S1	ZINC000004616298	558860182	/nfs/dbraw/zinc/86/01/82/558860182.db2.gz	FQEYDFLZASFLMU-VCHYOVAHSA-N	0	0	400.887	4.334	50	10		HICARN
CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=N)S1	ZINC000004674862	558886595	/nfs/dbraw/zinc/88/65/95/558886595.db2.gz	GCTGIWGUFIOBRR-TZJGTLJJSA-N	0	0	409.427	4.274	50	10		HICARN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000058134377	558900854	/nfs/dbraw/zinc/90/08/54/558900854.db2.gz	SLCGEXCCDLXSLU-HNNXBMFYSA-N	0	0	405.838	4.167	50	10		HICARN
COc1ccc(NC(=O)c2ccc3c(c2SC)C(=O)c2ccccc2C3=O)cc1	ZINC000004694264	558904100	/nfs/dbraw/zinc/90/41/00/558904100.db2.gz	NMVCZKQJNSEBMV-UHFFFAOYSA-N	0	0	403.459	4.445	50	10		HICARN
Cc1c(NC=C2C(C)=NN(c3ccccc3)C2=S)c(=O)n(-c2ccccc2)n1C	ZINC000004719840	558919047	/nfs/dbraw/zinc/91/90/47/558919047.db2.gz	RMIXSMLIBFMJKT-RGEXLXHISA-N	0	0	403.511	4.004	50	10		HICARN
CCOC(=O)CCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C(C)(C)C)C2	ZINC000022337263	558987866	/nfs/dbraw/zinc/98/78/66/558987866.db2.gz	KYJHZYOMLNLRGC-CYBMUJFWSA-N	0	0	409.548	4.358	50	10		HICARN
COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N=C4SC(C(C)C)=NN4C3=N)o2)cc1	ZINC000033332231	559063032	/nfs/dbraw/zinc/06/30/32/559063032.db2.gz	WPYLIEXTYABALV-JJJWLNEWSA-N	0	0	422.466	4.008	50	10		HICARN
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NC(=O)Nc1ccc(Br)cc1	ZINC000102516081	559150816	/nfs/dbraw/zinc/15/08/16/559150816.db2.gz	IRWIODHOXWFVJA-BOPFTXTBSA-N	0	0	413.275	4.186	50	10		HICARN
COc1cc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)ccc1OCCC(C)C	ZINC000004837058	559166254	/nfs/dbraw/zinc/16/62/54/559166254.db2.gz	DJCRMLYXXYCYKK-KJJXXWTESA-N	0	0	418.559	4.200	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)C2=N)S1	ZINC000033529883	559206782	/nfs/dbraw/zinc/20/67/82/559206782.db2.gz	ZQGFSJOYAAUIPM-GESHDMKESA-N	0	0	408.458	4.434	50	10		HICARN
Cc1c(Cl)cccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)C)cc1	ZINC000004953355	559216116	/nfs/dbraw/zinc/21/61/16/559216116.db2.gz	KORNNPBVVHGUIR-IBGZPJMESA-N	0	0	414.962	4.146	50	10		HICARN
CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCc3ccccc32)cc1	ZINC000005098661	559244538	/nfs/dbraw/zinc/24/45/38/559244538.db2.gz	PZZLQGUKDKGZMU-DEOSSOPVSA-N	0	0	403.501	4.426	50	10		HICARN
COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c1	ZINC000005489938	560597982	/nfs/dbraw/zinc/59/79/82/560597982.db2.gz	XUSHPJMUZHYKHB-QAMDQIOTSA-N	0	0	421.526	4.378	50	10		HICARN
CC(C)N1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)N(Cc2ccco2)C1=O	ZINC000103840189	560844583	/nfs/dbraw/zinc/84/45/83/560844583.db2.gz	BVMWINNKYHHXMG-ZROIWOOFSA-N	0	0	422.268	4.282	50	10		HICARN
COC(=O)c1c(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)sc2c1CC[C@@H](C)C2	ZINC000044827076	560897408	/nfs/dbraw/zinc/89/74/08/560897408.db2.gz	OWTVTROZBMOCGL-LVLBFHFTSA-N	0	0	409.511	4.378	50	10		HICARN
O=C(C1=CN(c2ccc(F)c(Cl)c2)c2ccccc2S1(=O)=O)N1CCCCC1	ZINC000048988505	568444071	/nfs/dbraw/zinc/44/40/71/568444071.db2.gz	GLHGPDLXZJEXJG-UHFFFAOYSA-N	0	0	420.893	4.258	50	10		HICARN
Cc1cc(/C=C2\C(=O)N(C)C(=S)N2C)c(C)n1-c1ccc(Br)c(C)c1	ZINC000000664545	568460304	/nfs/dbraw/zinc/46/03/04/568460304.db2.gz	ZLPWTJVTWMMEPD-LICLKQGHSA-N	0	0	418.360	4.195	50	10		HICARN
COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(Cl)cc1	ZINC000020236314	568595655	/nfs/dbraw/zinc/59/56/55/568595655.db2.gz	JRWDEYZWOQDEEZ-NRMLNOAJSA-N	0	0	423.856	4.378	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(C)cc4)c(Cl)c3)C(=N)N2O1	ZINC000020236718	568595740	/nfs/dbraw/zinc/59/57/40/568595740.db2.gz	IMTWPGQWOJTTKL-MEOLDJOHSA-N	0	0	421.840	4.318	50	10		HICARN
O=C(c1ccc(Br)o1)N1N=C(c2ccccc2O)C[C@H]1c1ccco1	ZINC000012420833	568720524	/nfs/dbraw/zinc/72/05/24/568720524.db2.gz	IRLVSOARZHFIQN-ZDUSSCGKSA-N	0	0	401.216	4.332	50	10		HICARN
CCOC(=O)C1=C(C)O/C(=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)S1	ZINC000096581275	568762470	/nfs/dbraw/zinc/76/24/70/568762470.db2.gz	GHZZKGOJVGLCCY-OQKWZONESA-N	0	0	406.463	4.207	50	10		HICARN
Cn1c2ccccc2nc1-c1cc2ccc([O-])c(C[NH+]3CCCCCC3)c2oc1=O	ZINC000001155575	568774980	/nfs/dbraw/zinc/77/49/80/568774980.db2.gz	IFELNQIONKPPGK-UHFFFAOYSA-N	0	0	403.482	4.428	50	10	biogenic	HICARN
Cc1cc(C(=O)[C@@H](C)Sc2nnc(N)s2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000002640370	568793481	/nfs/dbraw/zinc/79/34/81/568793481.db2.gz	VPAUISBDVXISGW-LLVKDONJSA-N	0	0	424.498	4.493	50	10		HICARN
COc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1[N+](=O)[O-]	ZINC000001206938	568823962	/nfs/dbraw/zinc/82/39/62/568823962.db2.gz	VKABTMBVMSNWBW-MDWZMJQESA-N	0	0	402.200	4.347	50	10		HICARN
COc1ccc(C(=O)c2c(C(F)(F)F)oc3c2C(=O)c2ccccc2C3=O)cc1	ZINC000001214105	568831699	/nfs/dbraw/zinc/83/16/99/568831699.db2.gz	YKGNFJJJTAQTNP-UHFFFAOYSA-N	0	0	400.308	4.313	50	10		HICARN
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1C[C@@H]1CCCO1	ZINC000001220210	568838611	/nfs/dbraw/zinc/83/86/11/568838611.db2.gz	IBUSPESPUDCXKV-HAKPAVFJSA-N	0	0	416.480	4.235	50	10		HICARN
COc1ccc(N(CC(=O)NC(=O)Nc2ccccc2F)Cc2ccccc2)cc1	ZINC000012522607	568842144	/nfs/dbraw/zinc/84/21/44/568842144.db2.gz	GLYSMAIVZLHSCM-UHFFFAOYSA-N	0	0	407.445	4.189	50	10		HICARN
c1ccc2c(c1)cccc2[C@H]1C=C(c2ccc(N3CCOCC3)cc2)N=C2N=NNN21	ZINC000012525007	568842711	/nfs/dbraw/zinc/84/27/11/568842711.db2.gz	VZBDANHWCGXTNY-HSZRJFAPSA-N	0	0	410.481	4.316	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1	ZINC000003382057	568857743	/nfs/dbraw/zinc/85/77/43/568857743.db2.gz	LWBQESDVWIXVBV-GOSISDBHSA-N	0	0	405.498	4.344	50	10		HICARN
COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3cccc(O)c3)C2=S)cc1	ZINC000001236294	568896883	/nfs/dbraw/zinc/89/68/83/568896883.db2.gz	KOCMIRWPVNHLBG-GZTJUZNOSA-N	0	0	414.508	4.267	50	10		HICARN
CNc1snc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	ZINC000012651844	568906738	/nfs/dbraw/zinc/90/67/38/568906738.db2.gz	OAAXMQIHBIKJGY-UHFFFAOYSA-N	0	0	401.463	4.080	50	10		HICARN
C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3cc(-c4nc5ccccc5n4C)c(=O)oc32)C1	ZINC000001293767	568912997	/nfs/dbraw/zinc/91/29/97/568912997.db2.gz	VDZQHKHXEHZGGY-OAHLLOKOSA-N	0	0	403.482	4.284	50	10	biogenic	HICARN
COc1ccc(-c2coc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)c2=O)cc1OC	ZINC000004064806	568937631	/nfs/dbraw/zinc/93/76/31/568937631.db2.gz	UANRRQZZKNTIAU-OAHLLOKOSA-N	0	0	409.482	4.415	50	10	biogenic	HICARN
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1sccc1-c1ccccc1	ZINC000084562920	568951180	/nfs/dbraw/zinc/95/11/80/568951180.db2.gz	MCZCQEWSAGGVRP-UHFFFAOYSA-N	0	0	410.514	4.445	50	10		HICARN
O=S(=O)(c1ccc2c(c1)CCCN2Cc1c(O)ccc2ccccc21)N1CCCC1	ZINC000084595041	568951842	/nfs/dbraw/zinc/95/18/42/568951842.db2.gz	IKECLEDESJGTAA-UHFFFAOYSA-N	0	0	422.550	4.283	50	10		HICARN
Cc1cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(C)n1-c1ccccn1	ZINC000008161872	568979165	/nfs/dbraw/zinc/97/91/65/568979165.db2.gz	DIYHMFVAPVBSMN-UHFFFAOYSA-N	0	0	417.538	4.412	50	10		HICARN
Cc1cc(C(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)c(C)n1-c1ccccn1	ZINC000089580047	569070706	/nfs/dbraw/zinc/07/07/06/569070706.db2.gz	SSHQQSTVOYVTKM-HXUWFJFHSA-N	0	0	413.525	4.452	50	10		HICARN
COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1Cl	ZINC000006672332	569087220	/nfs/dbraw/zinc/08/72/20/569087220.db2.gz	HUQMPRLKCRUENW-FRKPEAEDSA-N	0	0	405.884	4.483	50	10		HICARN
CCOC(=O)c1sc2ccsc2c1CN1CCN(c2ccc(OC)cc2)CC1	ZINC000036397435	569170513	/nfs/dbraw/zinc/17/05/13/569170513.db2.gz	LQHQXRQWYOLJER-UHFFFAOYSA-N	0	0	416.568	4.470	50	10		HICARN
Cc1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1	ZINC000065096257	569176670	/nfs/dbraw/zinc/17/66/70/569176670.db2.gz	HVKNILMCGSNDOM-UHFFFAOYSA-N	0	0	402.903	4.038	50	10		HICARN
CN(C)c1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1	ZINC000065136883	569183504	/nfs/dbraw/zinc/18/35/04/569183504.db2.gz	RUYQSFCMCOPJCB-FQEVSTJZSA-N	0	0	408.546	4.093	50	10		HICARN
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(C(C)C)C(C)C	ZINC000006973119	569191966	/nfs/dbraw/zinc/19/19/66/569191966.db2.gz	FLVHSVHKHHAMHY-UHFFFAOYSA-N	0	0	403.548	4.079	50	10		HICARN
COc1cc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)ccc1O	ZINC000240104326	569240008	/nfs/dbraw/zinc/24/00/08/569240008.db2.gz	UQDSGRPOJIWSLD-UUOWRZLLSA-N	0	0	416.433	4.372	50	10		HICARN
CN(C)c1ccc(CN(C)C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1	ZINC000009756717	569250987	/nfs/dbraw/zinc/25/09/87/569250987.db2.gz	GWXRCMGXLGHSCK-UHFFFAOYSA-N	0	0	409.452	4.173	50	10		HICARN
COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)c(OC)c1	ZINC000013426453	569255486	/nfs/dbraw/zinc/25/54/86/569255486.db2.gz	WXLGARBNTIZLKZ-YVLHZVERSA-N	0	0	401.260	4.272	50	10		HICARN
O=C(c1ccc(Br)o1)N1N=C(c2ccco2)C[C@H]1c1ccccc1O	ZINC000089813394	569266470	/nfs/dbraw/zinc/26/64/70/569266470.db2.gz	BWFLLUCXBUOJOP-ZDUSSCGKSA-N	0	0	401.216	4.332	50	10		HICARN
COc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)ccc1OC(C)=O	ZINC000008657127	571099191	/nfs/dbraw/zinc/09/91/91/571099191.db2.gz	XBBWDSDYDSBWBX-MFOYZWKCSA-N	0	0	418.371	4.445	50	10		HICARN
CC(=O)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	ZINC000008964919	571191157	/nfs/dbraw/zinc/19/11/57/571191157.db2.gz	HXOUATPSUHLRGG-HJOGWXRNSA-N	0	0	420.468	4.104	50	10		HICARN
O=C1NC(=S)S/C1=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21	ZINC000009227233	571239215	/nfs/dbraw/zinc/23/92/15/571239215.db2.gz	JPLNYQCBSOFPEI-CCEZHUSRSA-N	0	0	421.330	4.399	50	10		HICARN
COc1ccc(OC)c(NC(=O)NCc2cc(C)n(-c3ccccc3OC)c2C)c1	ZINC000009228871	571239600	/nfs/dbraw/zinc/23/96/00/571239600.db2.gz	CGGDBEFRPVVUOM-UHFFFAOYSA-N	0	0	409.486	4.442	50	10		HICARN
O=C(NN1C(=O)/C(=C\c2ccco2)SC1=S)C(c1ccccc1)c1ccccc1	ZINC000009404772	571255212	/nfs/dbraw/zinc/25/52/12/571255212.db2.gz	JKHQBDKWTSGDRT-NBVRZTHBSA-N	0	0	420.515	4.344	50	10		HICARN
O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCCC[C@H]1c1cccnc1	ZINC000009433858	571258583	/nfs/dbraw/zinc/25/85/83/571258583.db2.gz	IAWKQLIPSWLIRH-UZNZLNSGSA-N	0	0	423.563	4.037	50	10		HICARN
COc1ccccc1OCCOc1ccc(Cl)cc1C=C1SC(=S)NC1=O	ZINC000009553444	571268269	/nfs/dbraw/zinc/26/82/69/571268269.db2.gz	PHIYUCHRWDROPY-BOPFTXTBSA-N	0	0	421.927	4.295	50	10		HICARN
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(CC)NCCc1c[nH]cn1	ZINC000009972287	571293449	/nfs/dbraw/zinc/29/34/49/571293449.db2.gz	VUNPOVHVEQVHPQ-CYVLTUHYSA-N	0	0	408.531	4.019	50	10		HICARN
O=C(Cc1cccc2ccccc21)NN1C(=O)/C(=C/c2cccs2)SC1=S	ZINC000006252863	845185589	/nfs/dbraw/zinc/18/55/89/845185589.db2.gz	GHOWVFLBRIPFRF-ATVHPVEESA-N	0	0	410.545	4.376	50	10		HICARN
Cc1cccc(NC2=NC(=O)C(=Cc3ccccc3OCC(=O)N3CCCC3)S2)c1	ZINC000096663298	852553677	/nfs/dbraw/zinc/55/36/77/852553677.db2.gz	WIJXSMYYIJKKSP-ZHZULCJRSA-N	0	0	421.522	4.079	50	10		HICARN
O=C(OC/C=C\c1ccccc1)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	ZINC000097655193	852645647	/nfs/dbraw/zinc/64/56/47/852645647.db2.gz	WWBZNWOXBAQALO-TWGQIWQCSA-N	0	0	413.385	4.240	50	10		HICARN
CN(C)c1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1	ZINC000003129872	132262836	/nfs/dbraw/zinc/26/28/36/132262836.db2.gz	GHMFXTWNZXJCKG-UHFFFAOYSA-N	0	0	411.461	4.336	50	10		HICARN
CCOC(=O)c1ccc(NC(=S)NCc2cc3c4c(c2)CCCN4CCC3)cc1	ZINC000004622957	132280334	/nfs/dbraw/zinc/28/03/34/132280334.db2.gz	DGFVAGOEJPHIFW-UHFFFAOYSA-N	0	0	409.555	4.049	50	10		HICARN
Cc1cccc(N2CC(=O)N(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2=O)c1C	ZINC000005452183	132305977	/nfs/dbraw/zinc/30/59/77/132305977.db2.gz	JPILOMCQGXQAKP-VWLOTQADSA-N	0	0	413.521	4.491	50	10		HICARN
CN(Cc1ccc(N2CCOCC2)cc1)c1nc(-c2cccnc2)nc2ccccc21	ZINC000008706897	132332439	/nfs/dbraw/zinc/33/24/39/132332439.db2.gz	VSGCPYNKFQELLS-UHFFFAOYSA-N	0	0	411.509	4.165	50	10		HICARN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccccc1-c1ccccc1	ZINC000012551281	132363069	/nfs/dbraw/zinc/36/30/69/132363069.db2.gz	MRGVVWJHUQTAFQ-UHFFFAOYSA-N	0	0	416.521	4.228	50	10		HICARN
CN(C)c1ccc(CNC(=O)c2ccc(N3CCSc4ncccc43)s2)cc1	ZINC000015769842	132462490	/nfs/dbraw/zinc/46/24/90/132462490.db2.gz	IYTXHRVBEFLIEK-UHFFFAOYSA-N	0	0	410.568	4.383	50	10		HICARN
CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(Oc3ccc(C(=O)OC)cc3)c(C)oc21	ZINC000020573200	520742246	/nfs/dbraw/zinc/74/22/46/520742246.db2.gz	DMHUQAKHDOQZAD-UHFFFAOYSA-N	0	0	411.454	4.228	50	10		HICARN
O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc2cccnc21	ZINC000032623758	526706780	/nfs/dbraw/zinc/70/67/80/526706780.db2.gz	QJPBZIUOYJMHSZ-ATVHPVEESA-N	0	0	405.504	4.075	50	10		HICARN
CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CNC1=NCCC1=S	ZINC000003204934	534935109	/nfs/dbraw/zinc/93/51/09/534935109.db2.gz	BDBFHOMBQNJRJS-XMMPIXPASA-N	0	0	405.567	4.270	50	10		HICARN
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccnc1	ZINC000000954527	557125713	/nfs/dbraw/zinc/12/57/13/557125713.db2.gz	SHINIMDGACQAGO-RGVLZGJSSA-N	0	0	406.873	4.235	50	10		HICARN
COC(=O)CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S	ZINC000001091719	557177467	/nfs/dbraw/zinc/17/74/67/557177467.db2.gz	VHAGOGQJNRAICK-AQTBWJFISA-N	0	0	413.520	4.030	50	10		HICARN
COc1ccc(CN2C(=O)/C(=C/c3cccc(OC)c3OC)SC2=S)cc1	ZINC000001164977	557220188	/nfs/dbraw/zinc/22/01/88/557220188.db2.gz	TXJDMUDVYUXARA-BOPFTXTBSA-N	0	0	401.509	4.114	50	10		HICARN
COc1ccc(CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1	ZINC000001175135	557227213	/nfs/dbraw/zinc/22/72/13/557227213.db2.gz	HRUKTJPFLQEPOP-WQRHYEAKSA-N	0	0	401.509	4.114	50	10		HICARN
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCCC3)C2=O)cc1	ZINC000001181227	557230911	/nfs/dbraw/zinc/23/09/11/557230911.db2.gz	AWFNFDVZOYWWIX-JXAWBTAJSA-N	0	0	402.585	4.425	50	10		HICARN
COc1ccc2c3ccc(OCC(=O)OCc4ccccc4)c(C)c3oc(=O)c2c1	ZINC000001183693	557232331	/nfs/dbraw/zinc/23/23/31/557232331.db2.gz	ALOYFFFUJANEBT-UHFFFAOYSA-N	0	0	404.418	4.385	50	10		HICARN
COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)c(OC)c1	ZINC000004199577	557528096	/nfs/dbraw/zinc/52/80/96/557528096.db2.gz	WXLGARBNTIZLKZ-LICLKQGHSA-N	0	0	401.260	4.272	50	10		HICARN
COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1	ZINC000004714284	557585965	/nfs/dbraw/zinc/58/59/65/557585965.db2.gz	NYAKNTBPJMXYFN-SFQUDFHCSA-N	0	0	416.499	4.064	50	10		HICARN
O=C(c1ccc(Br)cc1)N1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000005600350	557664615	/nfs/dbraw/zinc/66/46/15/557664615.db2.gz	WHIDKSGHOMBJCX-UVTDQMKNSA-N	0	0	404.310	4.491	50	10		HICARN
Cc1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000006590575	557709301	/nfs/dbraw/zinc/70/93/01/557709301.db2.gz	LPXZOERPKDWOOI-XMHGGMMESA-N	0	0	409.511	4.126	50	10		HICARN
COc1cccc(-c2ccc(O)c(CN(C)Cc3nnc(-c4ccccc4)o3)c2)n1	ZINC000012027959	558310418	/nfs/dbraw/zinc/31/04/18/558310418.db2.gz	DTFGKVMCKHMSCW-UHFFFAOYSA-N	0	0	402.454	4.145	50	10		HICARN
CCCOc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1	ZINC000020326387	558355661	/nfs/dbraw/zinc/35/56/61/558355661.db2.gz	FMQKYIMBYRTGAZ-OQKWZONESA-N	0	0	421.566	4.264	50	10		HICARN
CN1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)CC1	ZINC000020461393	558373011	/nfs/dbraw/zinc/37/30/11/558373011.db2.gz	TYDXLPKLQSNZHK-BOPFTXTBSA-N	0	0	422.337	4.471	50	10		HICARN
O=c1cc(-c2cc3ccccc3oc2=O)c2ccc([O-])c(C[NH+]3CCCCC3)c2o1	ZINC000004339980	558426463	/nfs/dbraw/zinc/42/64/63/558426463.db2.gz	VBZXDAZFKPFMFQ-UHFFFAOYSA-N	0	0	403.434	4.258	50	10	biogenic	HICARN
O=c1cc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)nc2sccn21	ZINC000021728294	558447074	/nfs/dbraw/zinc/44/70/74/558447074.db2.gz	WIXPSACHKQKIRT-KRWDZBQOSA-N	0	0	424.551	4.091	50	10		HICARN
CC(=O)Nc1ccc(C)cc1NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	ZINC000072095071	558460121	/nfs/dbraw/zinc/46/01/21/558460121.db2.gz	ZYPAXBQDAPLAQZ-UHFFFAOYSA-N	0	0	419.481	4.384	50	10		HICARN
O=C1c2ccccc2C(=O)c2cc(/C=C\c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc21	ZINC000013403233	558531666	/nfs/dbraw/zinc/53/16/66/558531666.db2.gz	ZYMZMQNVLAXBRF-ALCCZGGFSA-N	0	0	400.346	4.449	50	10		HICARN
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1	ZINC000013482531	558534459	/nfs/dbraw/zinc/53/44/59/558534459.db2.gz	YUZUWKNZRQJMQM-KAMYIIQDSA-N	0	0	403.554	4.072	50	10	aggregator	HICARN
COc1ccc(/C=C2/SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1	ZINC000013534858	558537244	/nfs/dbraw/zinc/53/72/44/558537244.db2.gz	WLRWEJYZGQKAMZ-XMHGGMMESA-N	0	0	413.930	4.141	50	10		HICARN
COc1ccc(CCN2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)cc1	ZINC000013689661	558571810	/nfs/dbraw/zinc/57/18/10/558571810.db2.gz	AJZGVCDMKJGBEM-XDHOZWIPSA-N	0	0	407.520	4.082	50	10		HICARN
CC[C@H](C1=NN2C(=NC(=O)/C(=C/c3ccc(O)c(OC)c3)C2=N)S1)c1ccccc1	ZINC000013893113	558600145	/nfs/dbraw/zinc/60/01/45/558600145.db2.gz	PFILNDSLLHPFSJ-KUMDNSQPSA-N	0	0	420.494	4.214	50	10		HICARN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)o1	ZINC000013942058	558604887	/nfs/dbraw/zinc/60/48/87/558604887.db2.gz	YACZKPRUIJFWBA-ATNGQLTKSA-N	0	0	423.454	4.438	50	10		HICARN
COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccccc1	ZINC000004501805	558615401	/nfs/dbraw/zinc/61/54/01/558615401.db2.gz	OVTIBRZPMOWKDH-UHFFFAOYSA-N	0	0	408.450	4.418	50	10		HICARN
CC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1	ZINC000011024358	558683040	/nfs/dbraw/zinc/68/30/40/558683040.db2.gz	MJMFXLCMHTXQFA-UHFFFAOYSA-N	0	0	405.450	4.330	50	10		HICARN
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2c(s1)CCCCCC2	ZINC000072273084	558693165	/nfs/dbraw/zinc/69/31/65/558693165.db2.gz	SNWBSGQELBJYMH-UHFFFAOYSA-N	0	0	416.562	4.437	50	10		HICARN
CCCCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC	ZINC000016115397	558772502	/nfs/dbraw/zinc/77/25/02/558772502.db2.gz	JDWNCLSUQNLNCV-PWDRBQJJSA-N	0	0	407.557	4.254	50	10		HICARN
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2	ZINC000001062552	558775104	/nfs/dbraw/zinc/77/51/04/558775104.db2.gz	NLQGZVKXLTWART-ZFGGDYGUSA-N	0	0	424.566	4.151	50	10		HICARN
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	ZINC000058159355	558904397	/nfs/dbraw/zinc/90/43/97/558904397.db2.gz	BXJPHHMZRSFRPH-FQEVSTJZSA-N	0	0	401.551	4.035	50	10		HICARN
Cc1nc2cccnc2n1-c1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1Cl	ZINC000033249852	558918799	/nfs/dbraw/zinc/91/87/99/558918799.db2.gz	JDOLFGXPIKYWSO-UHFFFAOYSA-N	0	0	419.916	4.378	50	10		HICARN
O=C1Nc2ccc(Br)cc2/C1=C\c1cc(O)c(O)c(Br)c1	ZINC000096481959	558958072	/nfs/dbraw/zinc/95/80/72/558958072.db2.gz	GPKLWRHHVIBYEO-XCVCLJGOSA-N	0	0	411.049	4.116	50	10		HICARN
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cc[nH+]cc1	ZINC000033334427	559063509	/nfs/dbraw/zinc/06/35/09/559063509.db2.gz	BOSYWJXAZOVJPK-ATVHPVEESA-N	0	0	420.469	4.300	50	10		HICARN
COc1cc2c(cc1NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)oc1ccccc12	ZINC000011619501	559115467	/nfs/dbraw/zinc/11/54/67/559115467.db2.gz	OLTFKOPSQSBVOM-UHFFFAOYSA-N	0	0	424.478	4.049	50	10		HICARN
COc1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)c(OC)c1	ZINC000100288998	559133684	/nfs/dbraw/zinc/13/36/84/559133684.db2.gz	HIAGDYZPOMYYCU-RQZCQDPDSA-N	0	0	401.260	4.272	50	10		HICARN
COc1ccc2[nH]cc(CCNC(C)=C3C(=O)N(c4ccc(F)cc4)N=C3C)c2c1	ZINC000100422977	559135055	/nfs/dbraw/zinc/13/50/55/559135055.db2.gz	NEDFGZNWEDVRRC-HMAPJEAMSA-N	0	0	406.461	4.144	50	10		HICARN
CSC1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C(=N)N12	ZINC000004825838	559154480	/nfs/dbraw/zinc/15/44/80/559154480.db2.gz	ZTVPDHSTLRHTMZ-XGMUFTHNSA-N	0	0	408.508	4.205	50	10		HICARN
COc1cc(/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)ccc1OCCC(C)C	ZINC000004837057	559166260	/nfs/dbraw/zinc/16/62/60/559166260.db2.gz	DJCRMLYXXYCYKK-NKFAACEZSA-N	0	0	418.559	4.200	50	10		HICARN
CN(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccccc2F)cc1	ZINC000014610837	559171038	/nfs/dbraw/zinc/17/10/38/559171038.db2.gz	RMNORDMHLKZIKP-UHFFFAOYSA-N	0	0	405.433	4.044	50	10		HICARN
CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O	ZINC000033620254	559223299	/nfs/dbraw/zinc/22/32/99/559223299.db2.gz	JPKXMRHQMUZCOT-YBEGLDIGSA-N	0	0	402.453	4.105	50	10		HICARN
CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1	ZINC000005013538	559228149	/nfs/dbraw/zinc/22/81/49/559228149.db2.gz	ZLIHWISEUQFMHI-IWNQXXOGSA-N	0	0	403.438	4.115	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3cccn3CCOc3ccc(C(C)C)cc3)C(=N)N2O1	ZINC000005013967	559228222	/nfs/dbraw/zinc/22/82/22/559228222.db2.gz	LHCMHAAJPAHUJK-OMSSWJLUSA-N	0	0	404.470	4.141	50	10		HICARN
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)N2CCc3ccccc32)cc1	ZINC000005098652	559244509	/nfs/dbraw/zinc/24/45/09/559244509.db2.gz	LZLSJWZOKGKMNX-RUZDIDTESA-N	0	0	417.528	4.354	50	10		HICARN
CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)N2CCc3ccccc32)cc1	ZINC000005098653	559244539	/nfs/dbraw/zinc/24/45/39/559244539.db2.gz	LZLSJWZOKGKMNX-VWLOTQADSA-N	0	0	417.528	4.354	50	10		HICARN
CCN1C(=O)/C(=C\C=C2/Sc3c(ccc4ccccc34)N2CCO)SC1=S	ZINC000005247206	560550773	/nfs/dbraw/zinc/55/07/73/560550773.db2.gz	ZOYQPHQRMWRKAN-IPPJXQLGSA-N	0	0	414.577	4.350	50	10		HICARN
Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000005226001	560625314	/nfs/dbraw/zinc/62/53/14/560625314.db2.gz	CWHWWOWVMYVJCR-UHFFFAOYSA-N	0	0	416.399	4.474	50	10		HICARN
O=C(NN1C(=O)/C(=C/c2ccco2)SC1=S)C(c1ccccc1)c1ccccc1	ZINC000003270802	560886904	/nfs/dbraw/zinc/88/69/04/560886904.db2.gz	JKHQBDKWTSGDRT-JXAWBTAJSA-N	0	0	420.515	4.344	50	10		HICARN
Cc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1Cl	ZINC000049003794	568446522	/nfs/dbraw/zinc/44/65/22/568446522.db2.gz	OCWWVNJHLPLFHC-UHFFFAOYSA-N	0	0	402.903	4.038	50	10		HICARN
Cc1cc(C)cc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)c1	ZINC000049003840	568446573	/nfs/dbraw/zinc/44/65/73/568446573.db2.gz	VMOPFJGFSNVTFH-UHFFFAOYSA-N	0	0	416.930	4.346	50	10		HICARN
CC1=CSC2=NC(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C(=N)N12	ZINC000049652929	568453108	/nfs/dbraw/zinc/45/31/08/568453108.db2.gz	LJGIEZUPPRITDM-DTGSLFFUSA-N	0	0	413.846	4.206	50	10		HICARN
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1O	ZINC000000668222	568460428	/nfs/dbraw/zinc/46/04/28/568460428.db2.gz	QDYJOMLAQFVTMS-OQLLNIDSSA-N	0	0	401.260	4.360	50	10		HICARN
N=C1/C(=C\c2cccn2-c2cccc(F)c2)C(=O)N=C2SC(c3cccs3)=NN21	ZINC000020210720	568594468	/nfs/dbraw/zinc/59/44/68/568594468.db2.gz	WGCKLJLRVPOUGB-WQCWKDQBSA-N	0	0	421.482	4.345	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)c(Cl)c3)C(=N)N2O1	ZINC000020236758	568595616	/nfs/dbraw/zinc/59/56/16/568595616.db2.gz	OAGWDMOWPIJHGT-IFSHFEHQSA-N	0	0	423.856	4.248	50	10		HICARN
CCCOC(=O)c1ccc(Oc2c(C)oc3c(ccc([O-])c3C[NH+](C)C)c2=O)cc1	ZINC000020358398	568600721	/nfs/dbraw/zinc/60/07/21/568600721.db2.gz	CLFGNNTYTDKTRA-UHFFFAOYSA-N	0	0	411.454	4.228	50	10		HICARN
CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CC)c1ccccc1O)c1ccccc1O	ZINC000095449582	568613781	/nfs/dbraw/zinc/61/37/81/568613781.db2.gz	ZDYQIOJGOKAJSA-JWWGGVBKSA-N	0	0	424.541	4.349	50	10		HICARN
O=C(NC1=N[C@@H](c2ccccc2Cl)CC(=O)N1)c1ccc(Oc2ccccc2)cc1	ZINC000020530821	568626818	/nfs/dbraw/zinc/62/68/18/568626818.db2.gz	YCEVXBOWCQTIDO-HXUWFJFHSA-N	0	0	419.868	4.479	50	10		HICARN
CC(C)n1[nH]c(=O)c2c1nc(-c1ccc(O)c(O)c1O)cc2-c1nc2ccccc2[nH]1	ZINC000095477008	568630716	/nfs/dbraw/zinc/63/07/16/568630716.db2.gz	BDWXGEAFCTZGNT-UHFFFAOYSA-N	0	0	417.425	4.045	50	10		HICARN
Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1C(=O)NCc1ccc(N(C)C)cc1	ZINC000096323967	568733119	/nfs/dbraw/zinc/73/31/19/568733119.db2.gz	TXYWLQKGKUEUAW-UHFFFAOYSA-N	0	0	414.431	4.467	50	10		HICARN
COc1ccc(N2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1	ZINC000052537586	568769751	/nfs/dbraw/zinc/76/97/51/568769751.db2.gz	DFDOBWAFGIWGLD-UHFFFAOYSA-N	0	0	417.509	4.248	50	10		HICARN
Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)s1	ZINC000002635520	568791983	/nfs/dbraw/zinc/79/19/83/568791983.db2.gz	DTYMAKLDTYMUGT-UHFFFAOYSA-N	0	0	411.479	4.275	50	10		HICARN
Cc1cc(C(=O)CSc2nc3nc(C)cc(C)n3n2)c(C)n1-c1ccc(C)cc1	ZINC000003385442	568893294	/nfs/dbraw/zinc/89/32/94/568893294.db2.gz	ZTJZXSHKXIYGEH-UHFFFAOYSA-N	0	0	405.527	4.432	50	10		HICARN
Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000003503730	568910663	/nfs/dbraw/zinc/91/06/63/568910663.db2.gz	JVVKCCGWHWNCPT-UHFFFAOYSA-N	0	0	417.421	4.135	50	10		HICARN
CCOc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	ZINC000001299820	568913416	/nfs/dbraw/zinc/91/34/16/568913416.db2.gz	ADLDUPBRDZFRFY-GIJQJNRQSA-N	0	0	415.492	4.228	50	10		HICARN
C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)C[C@@H](C)O1	ZINC000001306387	568913526	/nfs/dbraw/zinc/91/35/26/568913526.db2.gz	SOJZAOVYKAZTPV-SJJRUYGKSA-N	0	0	408.523	4.345	50	10		HICARN
Cc1c(CO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1	ZINC000001389559	568923369	/nfs/dbraw/zinc/92/33/69/568923369.db2.gz	MSRHGEZGIVBDLN-UHFFFAOYSA-N	0	0	409.429	4.367	50	10		HICARN
CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1O	ZINC000001416461	568933879	/nfs/dbraw/zinc/93/38/79/568933879.db2.gz	CKEMGTRCAFUMNX-PDGQHHTCSA-N	0	0	400.525	4.263	50	10		HICARN
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1Br	ZINC000001423286	568938704	/nfs/dbraw/zinc/93/87/04/568938704.db2.gz	XETHLGGDMFRXEJ-ATVHPVEESA-N	0	0	412.283	4.322	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(OC)c1OC	ZINC000004180188	568949157	/nfs/dbraw/zinc/94/91/57/568949157.db2.gz	IFBWNYVYUXITHQ-WJDWOHSUSA-N	0	0	401.509	4.114	50	10		HICARN
CC(C)[N@H+](Cc1ccccc1)Cc1c([O-])c(C(=O)N2CCOCC2)cc2ccccc21	ZINC000012885836	569019750	/nfs/dbraw/zinc/01/97/50/569019750.db2.gz	PZCGZRLFHIVUCB-UHFFFAOYSA-N	0	0	418.537	4.428	50	10		HICARN
CN(C)c1ccc([C@H](CNC(=O)c2ccccc2F)N2CCc3ccccc3C2)cc1	ZINC000035349254	569033433	/nfs/dbraw/zinc/03/34/33/569033433.db2.gz	ASWQGSQIQQVEQU-VWLOTQADSA-N	0	0	417.528	4.421	50	10		HICARN
COCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)C(C(=O)OC)=C1C	ZINC000006266779	569036241	/nfs/dbraw/zinc/03/62/41/569036241.db2.gz	IEWSIAULEWAZEZ-KGENOOAVSA-N	0	0	422.525	4.030	50	10		HICARN
CC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)cc1	ZINC000001894869	569057102	/nfs/dbraw/zinc/05/71/02/569057102.db2.gz	ADIPNHVGSIWTIJ-WJDWOHSUSA-N	0	0	416.549	4.181	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(O)c(OC)c2)c1	ZINC000006721783	569099349	/nfs/dbraw/zinc/09/93/49/569099349.db2.gz	OSQAFIRXZLACFF-YADARESESA-N	0	0	418.449	4.357	50	10		HICARN
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)cc2)cc1	ZINC000006747922	569108690	/nfs/dbraw/zinc/10/86/90/569108690.db2.gz	DNJJZKXNABTVLM-FQEVSTJZSA-N	0	0	417.347	4.337	50	10		HICARN
CC(=O)Nc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	ZINC000006830894	569147306	/nfs/dbraw/zinc/14/73/06/569147306.db2.gz	BISICCPXFXHCDU-UHFFFAOYSA-N	0	0	404.466	4.401	50	10		HICARN
CCOC(=O)c1ccccc1NC1(c2ccc(OC)cc2)C(=O)c2ccccc2C1=O	ZINC000006902064	569178053	/nfs/dbraw/zinc/17/80/53/569178053.db2.gz	JBJHWUQQIVJCLC-UHFFFAOYSA-N	0	0	415.445	4.259	50	10	aggregator	HICARN
COc1ccc(CN(C(=O)CSc2ncc(-c3ccccc3)n2C)C2CC2)cc1	ZINC000007210947	569228894	/nfs/dbraw/zinc/22/88/94/569228894.db2.gz	OXBPAYGASRMFGX-UHFFFAOYSA-N	0	0	407.539	4.379	50	10		HICARN
Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1cc(F)cc2c1OCOC2	ZINC000065595325	569236900	/nfs/dbraw/zinc/23/69/00/569236900.db2.gz	PVTFHYXRBVXVFC-UHFFFAOYSA-N	0	0	400.475	4.134	50	10		HICARN
COc1ccc(CCN2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1	ZINC000006441523	569279934	/nfs/dbraw/zinc/27/99/34/569279934.db2.gz	IYZKZFASVXTOLE-MOSHPQCFSA-N	0	0	409.532	4.458	50	10		HICARN
COc1cc(OC)c(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1Cl	ZINC000002124792	569286105	/nfs/dbraw/zinc/28/61/05/569286105.db2.gz	AOSJNGOCVPJULG-UHFFFAOYSA-N	0	0	401.846	4.437	50	10	biogenic	HICARN
O=C(CSc1ccccc1C(=O)Nc1cccc(N2CCCC2)c1)N1CCCC1	ZINC000040146946	571196660	/nfs/dbraw/zinc/19/66/60/571196660.db2.gz	FGRLNJHQIIVSOX-UHFFFAOYSA-N	0	0	409.555	4.254	50	10		HICARN
COC(=O)c1cccc(NC(=O)NCc2cc(C)n(-c3ccccc3OC)c2C)c1	ZINC000009228903	571239641	/nfs/dbraw/zinc/23/96/41/571239641.db2.gz	LOQDPPVJMBYORJ-UHFFFAOYSA-N	0	0	407.470	4.211	50	10		HICARN
COc1cccc(C(=O)NN2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c1	ZINC000009404774	571255292	/nfs/dbraw/zinc/25/52/92/571255292.db2.gz	DCZBRWFFGHZANM-CPNJWEJPSA-N	0	0	420.515	4.395	50	10		HICARN
COc1ccc(-n2c(C)cc(CNS(=O)(=O)c3cccc(Cl)c3)c2C)cc1	ZINC000009527516	571266250	/nfs/dbraw/zinc/26/62/50/571266250.db2.gz	KCNBEZVHOSCSPC-UHFFFAOYSA-N	0	0	404.919	4.235	50	10		HICARN
CCN1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2N2CCCCC2)SC1=S	ZINC000003418712	845019725	/nfs/dbraw/zinc/01/97/25/845019725.db2.gz	QAQMWRQBEJCOJK-JXAWBTAJSA-N	0	0	412.584	4.392	50	10		HICARN
O=C1NC(=S)N(C2CCCCC2)C(=O)C1=Cc1cccn1-c1cccc([N+](=O)[O-])c1	ZINC000016213664	846138371	/nfs/dbraw/zinc/13/83/71/846138371.db2.gz	BJKQAARUIOUAPX-QGOAFFKASA-N	0	0	424.482	4.185	50	10		HICARN
Cc1cc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)c(C)n1C1CCCCC1	ZINC000016266119	846144644	/nfs/dbraw/zinc/14/46/44/846144644.db2.gz	UMFNKEYGEIBIQS-UNOMPAQXSA-N	0	0	411.527	4.030	50	10		HICARN
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)NCc2ccco2)cc1	ZINC000254703911	854213320	/nfs/dbraw/zinc/21/33/20/854213320.db2.gz	WIJBHMRUPHZNQZ-UHFFFAOYSA-N	0	0	406.442	4.234	50	10		HICARN
COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	ZINC000010962789	132346919	/nfs/dbraw/zinc/34/69/19/132346919.db2.gz	YMQBCFZLHNHHAB-UHFFFAOYSA-N	0	0	404.514	4.143	50	10		HICARN
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[C@H]1Cc2ccccc2NC1=O	ZINC000012764002	132366840	/nfs/dbraw/zinc/36/68/40/132366840.db2.gz	ABBAUDWZSIIHNW-NRFANRHFSA-N	0	0	405.542	4.227	50	10		HICARN
CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1F	ZINC000020236110	520620113	/nfs/dbraw/zinc/62/01/13/520620113.db2.gz	KHBWGRKJDXVBQZ-QDTGPSGXSA-N	0	0	421.428	4.254	50	10		HICARN
CCSC1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccco4)o3)C(=N)N12	ZINC000032969741	521695546	/nfs/dbraw/zinc/69/55/46/521695546.db2.gz	NIOUZUBPFBGGQZ-PEMMUPCOSA-N	0	0	418.525	4.495	50	10		HICARN
COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccc(C)cc1	ZINC000044085865	522052132	/nfs/dbraw/zinc/05/21/32/522052132.db2.gz	FXVXWDZDDCKVNX-UHFFFAOYSA-N	0	0	411.527	4.244	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3cc(-c4ccccn4)nc4ccccc43)CC2)cc1	ZINC000032092812	524419559	/nfs/dbraw/zinc/41/95/59/524419559.db2.gz	BAIRNWMPXDZULD-UHFFFAOYSA-N	0	0	424.504	4.268	50	10		HICARN
N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC=C(c3ccccc3)N21	ZINC000030684123	526836979	/nfs/dbraw/zinc/83/69/79/526836979.db2.gz	PPYPWKWVGMKZLM-RFCLUPQTSA-N	0	0	400.257	4.346	50	10		HICARN
O=C(Nc1ccc(N=Nc2ccccc2)c(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCCO1	ZINC000252605999	527230851	/nfs/dbraw/zinc/23/08/51/527230851.db2.gz	GOOBZODYDNMMBG-PMACEKPBSA-N	0	0	408.458	4.337	50	10		HICARN
COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2cc(OC)ccc2O)cc1	ZINC000000847806	557099809	/nfs/dbraw/zinc/09/98/09/557099809.db2.gz	KGXVRIKOOMCERN-UHFFFAOYSA-N	0	0	406.482	4.443	50	10		HICARN
COc1ccc2c3ccc(OCC(=O)N4C[C@H](C)C[C@@H](C)C4)c(C)c3oc(=O)c2c1	ZINC000001130690	557197802	/nfs/dbraw/zinc/19/78/02/557197802.db2.gz	WSXCDHZVCHLOTO-HUUCEWRRSA-N	0	0	409.482	4.147	50	10		HICARN
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(O)c1	ZINC000001180663	557230554	/nfs/dbraw/zinc/23/05/54/557230554.db2.gz	SLKMMOGDMDRUJT-YBEGLDIGSA-N	0	0	418.927	4.276	50	10		HICARN
COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(O)cc3)C2=O)cc1	ZINC000001191099	557236336	/nfs/dbraw/zinc/23/63/36/557236336.db2.gz	JPUNRINREINELM-PXLXIMEGSA-N	0	0	412.445	4.322	50	10		HICARN
COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)C(C(=O)OC)=C1C	ZINC000002174369	557321906	/nfs/dbraw/zinc/32/19/06/557321906.db2.gz	ARTVTYPYKHOZAD-STZFKDTASA-N	0	0	422.525	4.030	50	10		HICARN
O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000004514275	557562345	/nfs/dbraw/zinc/56/23/45/557562345.db2.gz	IVDUMQIWSBWBMZ-CPNJWEJPSA-N	0	0	409.467	4.432	50	10		HICARN
COc1ccc(/C=C/C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC	ZINC000004628619	557574155	/nfs/dbraw/zinc/57/41/55/557574155.db2.gz	HPZLMNOGHDYLKZ-ACCUITESSA-N	0	0	413.429	4.131	50	10		HICARN
CCOc1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1OC	ZINC000009188344	557825831	/nfs/dbraw/zinc/82/58/31/557825831.db2.gz	MHJBVSCTTGYYAX-RGEXLXHISA-N	0	0	415.536	4.374	50	10		HICARN
CC(C)Oc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1	ZINC000020326113	558355603	/nfs/dbraw/zinc/35/56/03/558355603.db2.gz	BJHLEWXSIRLXDP-CJLVFECKSA-N	0	0	421.566	4.262	50	10		HICARN
C[C@@H]1CN(C2=NC(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)S2)C[C@H](C)O1	ZINC000012438487	558410033	/nfs/dbraw/zinc/41/00/33/558410033.db2.gz	QNCSOMIBIKOPGD-KSFHFOFHSA-N	0	0	420.332	4.010	50	10		HICARN
COC(=O)C1=NN(c2ccccc2)C(=O)C(=NNc2cccc(C(F)(F)F)c2)C1=O	ZINC000012950853	558488168	/nfs/dbraw/zinc/48/81/68/558488168.db2.gz	WEZORHASZDUBMY-WCWDXBQESA-N	0	0	418.331	4.159	50	10		HICARN
COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccccc2)cc1OC	ZINC000013121862	558517547	/nfs/dbraw/zinc/51/75/47/558517547.db2.gz	NCTZNXQQLNRIJV-FQEVSTJZSA-N	0	0	402.450	4.401	50	10		HICARN
O=C1N=C(N2CCN(c3cccc4ccccc43)CC2)S/C1=C/c1ccc(O)cc1	ZINC000013532493	558537058	/nfs/dbraw/zinc/53/70/58/558537058.db2.gz	XHFBAPHFMOIBMB-CJLVFECKSA-N	0	0	415.518	4.338	50	10		HICARN
O=C1NC(=S)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000013644223	558556167	/nfs/dbraw/zinc/55/61/67/558556167.db2.gz	HNUSJOUJWWUCHW-WUXMJOGZSA-N	0	0	411.258	4.106	50	10		HICARN
COc1ccc(N2C(=O)/C(=C\c3ccc4nccnc4c3)SC2=S)c(OC)c1	ZINC000013684270	558568549	/nfs/dbraw/zinc/56/85/49/558568549.db2.gz	SPHSVUREHZNMSR-VCHYOVAHSA-N	0	0	409.492	4.053	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3ccc4nc(-n5cccc5)sc4c3)CC2)cc1	ZINC000013691175	558573188	/nfs/dbraw/zinc/57/31/88/558573188.db2.gz	KZYWYUCEFINTIF-UHFFFAOYSA-N	0	0	418.522	4.058	50	10		HICARN
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCCCCC1	ZINC000013809914	558595238	/nfs/dbraw/zinc/59/52/38/558595238.db2.gz	JKUYTRYMXJTPIH-SSZFMOIBSA-N	0	0	408.976	4.334	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)cc1	ZINC000014406016	558654211	/nfs/dbraw/zinc/65/42/11/558654211.db2.gz	LGIGTQCIHYXSOV-QFIPXVFZSA-N	0	0	402.473	4.486	50	10		HICARN
COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c1	ZINC000027530340	558674056	/nfs/dbraw/zinc/67/40/56/558674056.db2.gz	JDQSCPABRJQMGU-WOJGMQOQSA-N	0	0	414.508	4.068	50	10		HICARN
Cc1ccccc1OCC1=NN2C(=NC(=O)/C(=C\c3ccccc3Cl)C2=N)S1	ZINC000004551372	558704053	/nfs/dbraw/zinc/70/40/53/558704053.db2.gz	HSWDIDGQHNRALW-JEGSZOCCSA-N	0	0	410.886	4.347	50	10		HICARN
Cc1ccc(N2CC(=O)N(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2=O)cc1C	ZINC000015412674	558738354	/nfs/dbraw/zinc/73/83/54/558738354.db2.gz	XFNHMIUVVZVJEU-VWLOTQADSA-N	0	0	413.521	4.491	50	10		HICARN
COc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1cc(C)ccc1C	ZINC000015800299	558754083	/nfs/dbraw/zinc/75/40/83/558754083.db2.gz	MVJYYOHHRWIJEX-UNOMPAQXSA-N	0	0	415.536	4.259	50	10		HICARN
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccccn2)C1=O	ZINC000005093012	558781624	/nfs/dbraw/zinc/78/16/24/558781624.db2.gz	YJVGZIAWZDZICP-MIBLWBGCSA-N	0	0	409.536	4.258	50	10		HICARN
CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2cccnc2)C1=O	ZINC000016661209	558798308	/nfs/dbraw/zinc/79/83/08/558798308.db2.gz	CIQJEWUNCJLTGG-MNPLYOLFSA-N	0	0	409.536	4.258	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C\c3cccn3CCOc3ccc(C)cc3C)C2=N)S1	ZINC000004592664	558830529	/nfs/dbraw/zinc/83/05/29/558830529.db2.gz	YXUAVBOSUQYDDH-HVZAKDRGSA-N	0	0	421.526	4.213	50	10		HICARN
COc1cccc(-n2c(CN(C)Cc3ccccc3O)nnc2SCC(C)C)c1	ZINC000055308155	558878886	/nfs/dbraw/zinc/87/88/86/558878886.db2.gz	UHLTYPCEGAFBTJ-UHFFFAOYSA-N	0	0	412.559	4.362	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=N)S1	ZINC000004673118	558885014	/nfs/dbraw/zinc/88/50/14/558885014.db2.gz	DNQYJGOOZTYPGH-WJNHLLBISA-N	0	0	409.427	4.192	50	10		HICARN
CCOc1ccc(Cl)cc1/C=C1/C(=N)N2N=C(c3ccccc3)SC2=NC1=O	ZINC000015800618	558993173	/nfs/dbraw/zinc/99/31/73/558993173.db2.gz	JFDNCGAXUNHEMC-OTLVRQKTSA-N	0	0	410.886	4.406	50	10		HICARN
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCCc1c[nH]c2ccccc12	ZINC000100163440	559131360	/nfs/dbraw/zinc/13/13/60/559131360.db2.gz	UDMMLJBZVHBLHA-HMMYKYKNSA-N	0	0	417.469	4.295	50	10		HICARN
CCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1	ZINC000101328229	559146493	/nfs/dbraw/zinc/14/64/93/559146493.db2.gz	YEXVZOAGOCDRPP-SAPNQHFASA-N	0	0	406.511	4.329	50	10		HICARN
COc1ccc(/C=C\C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC	ZINC000033455962	559194126	/nfs/dbraw/zinc/19/41/26/559194126.db2.gz	HPZLMNOGHDYLKZ-QBFSEMIESA-N	0	0	413.429	4.131	50	10		HICARN
CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cc(Cl)cc(Cl)c3)C2=N)S1	ZINC000004908965	559201121	/nfs/dbraw/zinc/20/11/21/559201121.db2.gz	CIURPJRAJXSGRO-AMKWIFSPSA-N	0	0	404.282	4.423	50	10		HICARN
CCN1C(=O)/C(=C\c2ccc(OC(=O)c3cccs3)c(OC)c2)SC1=S	ZINC000005102542	559246643	/nfs/dbraw/zinc/24/66/43/559246643.db2.gz	NPWXNIFCGVDYAQ-XNTDXEJSSA-N	0	0	405.522	4.197	50	10		HICARN
CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cc(OC)c(OC)c(OC)c1)CO3	ZINC000005347458	560570675	/nfs/dbraw/zinc/57/06/75/560570675.db2.gz	WKYSOCVRMLJFBW-UHFFFAOYSA-N	0	0	411.454	4.046	50	10		HICARN
Cc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(F)cc1	ZINC000005659057	560637028	/nfs/dbraw/zinc/63/70/28/560637028.db2.gz	CPAZZSHTWMXRIH-IVZHQMGZSA-N	0	0	400.494	4.331	50	10		HICARN
Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c(C)n1-c1ccc(F)cc1	ZINC000005660154	560641968	/nfs/dbraw/zinc/64/19/68/560641968.db2.gz	CVXUZGHABYGGTO-HNNXBMFYSA-N	0	0	406.457	4.368	50	10		HICARN
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(CC)cc3)C(C(=O)OC)=C2C)cc1	ZINC000001133635	560727208	/nfs/dbraw/zinc/72/72/08/560727208.db2.gz	IZTFEDROKVOURT-QNGOZBTKSA-N	0	0	419.477	4.303	50	10		HICARN
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@H]3C2=O)c(C)c1	ZINC000102729494	560822235	/nfs/dbraw/zinc/82/22/35/560822235.db2.gz	BLQLYXPJSHXHPC-XPWALMASSA-N	0	0	414.461	4.060	50	10		HICARN
O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1Cc1ccc2c(c1)OCO2	ZINC000006496382	560875026	/nfs/dbraw/zinc/87/50/26/560875026.db2.gz	KRRVYBDVRADJSK-OCKHKDLRSA-N	0	0	409.488	4.136	50	10		HICARN
Cc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1C	ZINC000049003838	568446566	/nfs/dbraw/zinc/44/65/66/568446566.db2.gz	SUEBTPFIJKTPEL-UHFFFAOYSA-N	0	0	416.930	4.346	50	10		HICARN
COc1ccc(C(=O)Nc2ccccc2N2CCOC2=O)cc1-n1c(C)ccc1C	ZINC000095453995	568616048	/nfs/dbraw/zinc/61/60/48/568616048.db2.gz	CVCLPFXEAKALGM-UHFFFAOYSA-N	0	0	405.454	4.312	50	10		HICARN
COc1ccc(C(=O)N2N=C(c3ccc(O)c(OC)c3)C[C@H]2c2cccs2)cc1	ZINC000095946334	568663977	/nfs/dbraw/zinc/66/39/77/568663977.db2.gz	SSKIPBJHXGESOE-SFHVURJKSA-N	0	0	408.479	4.462	50	10		HICARN
CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O	ZINC000001005887	568762413	/nfs/dbraw/zinc/76/24/13/568762413.db2.gz	KKQWREJBJDQGFT-ODLFYWEKSA-N	0	0	412.511	4.310	50	10		HICARN
O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)c1ccco1	ZINC000001136409	568773928	/nfs/dbraw/zinc/77/39/28/568773928.db2.gz	IHXDLUPYEOWWSB-BOPFTXTBSA-N	0	0	411.460	4.493	50	10		HICARN
CC(=O)Nc1cccc(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1	ZINC000028268227	568783794	/nfs/dbraw/zinc/78/37/94/568783794.db2.gz	ZLUWNGHEGMSKKP-UHFFFAOYSA-N	0	0	405.454	4.076	50	10		HICARN
Cc1cc(C(=O)OCC(=O)NCCCc2ccccc2)c(C)n1-c1ccc(F)cc1	ZINC000002644116	568794327	/nfs/dbraw/zinc/79/43/27/568794327.db2.gz	JAOKOXIBSRREHF-UHFFFAOYSA-N	0	0	408.473	4.139	50	10		HICARN
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccco1	ZINC000015223138	568819064	/nfs/dbraw/zinc/81/90/64/568819064.db2.gz	LNQBPVWMMOTOLW-WJDWOHSUSA-N	0	0	402.244	4.309	50	10		HICARN
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCCC3)C2=O)cc1	ZINC000001186895	568822528	/nfs/dbraw/zinc/82/25/28/568822528.db2.gz	QXIZMGPBLJXIHL-SDXDJHTJSA-N	0	0	402.585	4.243	50	10		HICARN
COc1ccc(-c2nc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cs2)cc1OC	ZINC000012598002	568869317	/nfs/dbraw/zinc/86/93/17/568869317.db2.gz	ZMTJWTFAQFJDPR-UHFFFAOYSA-N	0	0	411.527	4.166	50	10		HICARN
Cc1cc(C(=O)COc2ncnc3ccccc32)c(C)n1-c1ccc2c(c1)OCCO2	ZINC000003439341	568903209	/nfs/dbraw/zinc/90/32/09/568903209.db2.gz	LBVILQFDSOFPLF-UHFFFAOYSA-N	0	0	415.449	4.070	50	10		HICARN
C[C@H]1Cc2cc(-c3csc(-c4ccc(N(C)C)cc4)n3)ccc2N1S(C)(=O)=O	ZINC000008042143	568970587	/nfs/dbraw/zinc/97/05/87/568970587.db2.gz	SWWOLTMILIUZNF-AWEZNQCLSA-N	0	0	413.568	4.254	50	10		HICARN
COC(=O)c1ccc([C@H]2N=C(c3cccc(OC)c3)C[C@H](c3ccccc3O)N2)cc1	ZINC000053363479	569027635	/nfs/dbraw/zinc/02/76/35/569027635.db2.gz	NGGFYPRROHKQIF-VWNXMTODSA-N	0	0	416.477	4.410	50	10		HICARN
CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C	ZINC000006319105	569040368	/nfs/dbraw/zinc/04/03/68/569040368.db2.gz	BWDARCGKRSFFIE-UHFFFAOYSA-N	0	0	420.465	4.066	50	10		HICARN
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@H]3C2=O)c(C)c1	ZINC000245324881	569055757	/nfs/dbraw/zinc/05/57/57/569055757.db2.gz	BLQLYXPJSHXHPC-DNVJHFABSA-N	0	0	414.461	4.060	50	10		HICARN
COc1cccc(C(=O)N2N=C(c3cccs3)C[C@H]2c2cccc(OC)c2O)c1	ZINC000089467223	569060900	/nfs/dbraw/zinc/06/09/00/569060900.db2.gz	ZXFQQJNVVQZXAX-SFHVURJKSA-N	0	0	408.479	4.462	50	10		HICARN
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1	ZINC000016661540	569066681	/nfs/dbraw/zinc/06/66/81/569066681.db2.gz	SDPUSGGYDPJEAC-WOJGMQOQSA-N	0	0	412.536	4.152	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(O)c2)c1	ZINC000006721782	569099306	/nfs/dbraw/zinc/09/93/06/569099306.db2.gz	PJQUIGXNAARJKH-NTKDMRAZSA-N	0	0	418.449	4.357	50	10		HICARN
Cc1cc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)c(C)n1-c1ccc(C)cc1	ZINC000007044331	569209622	/nfs/dbraw/zinc/20/96/22/569209622.db2.gz	OPLIFJSWECGVNH-UHFFFAOYSA-N	0	0	401.466	4.076	50	10		HICARN
COC(=O)CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S	ZINC000054486339	569285250	/nfs/dbraw/zinc/28/52/50/569285250.db2.gz	QZWLYINKSLNQJR-LFIBNONCSA-N	0	0	405.472	4.240	50	10		HICARN
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1	ZINC000002430695	569399149	/nfs/dbraw/zinc/39/91/49/569399149.db2.gz	RSFRGBPICHSYJE-PDGQHHTCSA-N	0	0	407.520	4.379	50	10		HICARN
CCCCn1ncc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1C(C)C	ZINC000328595017	569415897	/nfs/dbraw/zinc/41/58/97/569415897.db2.gz	IQASOLHKZAMGGC-UHFFFAOYSA-N	0	0	404.898	4.134	50	10		HICARN
CN(CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1ccc(N2CCOCC2)cc1	ZINC000008709602	571104811	/nfs/dbraw/zinc/10/48/11/571104811.db2.gz	ZWIRWFIKWDJJGJ-UHFFFAOYSA-N	0	0	415.537	4.261	50	10		HICARN
Cc1ccc(C)n1-c1ccccc1CNS(=O)(=O)c1ccc(Br)cc1	ZINC000008781571	571118869	/nfs/dbraw/zinc/11/88/69/571118869.db2.gz	BNQFYLDEPQFYPG-UHFFFAOYSA-N	0	0	419.344	4.335	50	10		HICARN
COC(=O)c1ccccc1NC(=O)NCc1cc(C)n(-c2ccc(OC)cc2)c1C	ZINC000009228632	571239392	/nfs/dbraw/zinc/23/93/92/571239392.db2.gz	ZMZVJYOIRXBBFQ-UHFFFAOYSA-N	0	0	407.470	4.211	50	10		HICARN
O=C(c1ccccc1)c1ccccc1NC1=C(c2cccs2)n2nnnc2SC1	ZINC000009514635	571264686	/nfs/dbraw/zinc/26/46/86/571264686.db2.gz	UPPYUZLQPWHVCQ-UHFFFAOYSA-N	0	0	417.519	4.400	50	10		HICARN
Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1ccc(N(C)C)cc1	ZINC000071326752	571291868	/nfs/dbraw/zinc/29/18/68/571291868.db2.gz	PUBXVDLRHRAOSV-UHFFFAOYSA-N	0	0	401.923	4.240	50	10		HICARN
CSc1cccc(-n2c(C)cc(C(=O)CSc3nc4ncccn4n3)c2C)c1	ZINC000010074243	571294710	/nfs/dbraw/zinc/29/47/10/571294710.db2.gz	RQGSQQDDYXLVEN-UHFFFAOYSA-N	0	0	409.540	4.229	50	10		HICARN
CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(C)ccc3O)=NN12	ZINC000010214046	571296668	/nfs/dbraw/zinc/29/66/68/571296668.db2.gz	JYUHGVPZCDEWHU-FQEVSTJZSA-N	0	0	421.497	4.193	50	10		HICARN
COc1cc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccncc2)ccc1O	ZINC000010216080	571297312	/nfs/dbraw/zinc/29/73/12/571297312.db2.gz	ZIOPSYKVLAHXKB-JPYJTQIMSA-N	0	0	403.438	4.047	50	10		HICARN
O=C(OCCC1(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000000754223	845001431	/nfs/dbraw/zinc/00/14/31/845001431.db2.gz	LQBWCSOMIIQRNB-UHFFFAOYSA-N	0	0	415.401	4.159	50	10		HICARN
CCOc1ccc(C2=C/C(=C/c3ccc(I)o3)C(=O)O2)cc1	ZINC000001202439	845002914	/nfs/dbraw/zinc/00/29/14/845002914.db2.gz	VEMZDEWNCZLHLE-XFXZXTDPSA-N	0	0	408.191	4.264	50	10		HICARN
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=C1SC(NC2CCCC2)=NC1=O	ZINC000006933379	845226192	/nfs/dbraw/zinc/22/61/92/845226192.db2.gz	XNLBXHSMQTWSEK-MHWRWJLKSA-N	0	0	404.898	4.476	50	10		HICARN
CC(=O)N(c1nc(/C=C2\SC(=S)N(C)C2=O)cs1)c1ccc(C)c(C)c1	ZINC000096935885	852558976	/nfs/dbraw/zinc/55/89/76/852558976.db2.gz	XHJJWNDFIFCFON-NVNXTCNLSA-N	0	0	403.554	4.276	50	10		HICARN
Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1ccc3c(c1)OCCO3)CO2	ZINC000002122409	132248972	/nfs/dbraw/zinc/24/89/72/132248972.db2.gz	QGXKJBCZVQXFTF-UHFFFAOYSA-N	0	0	401.418	4.382	50	10	biogenic	HICARN
COc1ccc(C(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1	ZINC000005126530	132301697	/nfs/dbraw/zinc/30/16/97/132301697.db2.gz	DORUCTWNQVTEIE-UHFFFAOYSA-N	0	0	402.494	4.237	50	10		HICARN
CN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(N2CCCCC2)cc1	ZINC000012651039	132365741	/nfs/dbraw/zinc/36/57/41/132365741.db2.gz	LINXADHHEIJQFW-UHFFFAOYSA-N	0	0	406.574	4.348	50	10		HICARN
COc1ccc(CN2COc3ccc4c5ccc(OC)cc5c(=O)oc4c3C2)cc1	ZINC000020403884	524040632	/nfs/dbraw/zinc/04/06/32/524040632.db2.gz	SYSWBRQHERRDTO-UHFFFAOYSA-N	0	0	403.434	4.316	50	10		HICARN
C[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(N2CCC(C)CC2)cc1	ZINC000044854074	525325658	/nfs/dbraw/zinc/32/56/58/525325658.db2.gz	SWSRPYZPWXIPCL-OAQYLSRUSA-N	0	0	421.585	4.246	50	10		HICARN
C[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCC(C)CC2)cc1	ZINC000072437593	525329959	/nfs/dbraw/zinc/32/99/59/525329959.db2.gz	SJUWNUGMXNMBCD-HXUWFJFHSA-N	0	0	407.558	4.251	50	10		HICARN
COc1cccc(-n2c(C)cc(C(=O)Nc3ccc4c(c3)CCN4C(C)=O)c2C)c1	ZINC000032410812	525746403	/nfs/dbraw/zinc/74/64/03/525746403.db2.gz	NHFJWTHRVISYID-UHFFFAOYSA-N	0	0	403.482	4.264	50	10		HICARN
Cc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccccc2)s1	ZINC000044086272	526364036	/nfs/dbraw/zinc/36/40/36/526364036.db2.gz	AMOOZDRANKDFIJ-UHFFFAOYSA-N	0	0	421.551	4.489	50	10		HICARN
Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(C)n1-c1ccc(Br)c(C)c1	ZINC000000664547	557044994	/nfs/dbraw/zinc/04/49/94/557044994.db2.gz	ZLPWTJVTWMMEPD-YVLHZVERSA-N	0	0	418.360	4.195	50	10		HICARN
COc1ccc(/C=C2/C(C)=NN(c3ccc(C(=O)OC(C)C)cc3)C2=O)cc1OC	ZINC000000678080	557054190	/nfs/dbraw/zinc/05/41/90/557054190.db2.gz	WLZSEBRGMZQGCX-UNOMPAQXSA-N	0	0	408.454	4.075	50	10		HICARN
CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)c2C)cc1	ZINC000000982480	557130722	/nfs/dbraw/zinc/13/07/22/557130722.db2.gz	VOADTJKVEHXDNQ-IYSPOMMRSA-N	0	0	412.511	4.254	50	10		HICARN
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000001026949	557145277	/nfs/dbraw/zinc/14/52/77/557145277.db2.gz	NQTTWRDTPIQCSK-UHFFFAOYSA-N	0	0	400.466	4.371	50	10		HICARN
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000001133558	557200035	/nfs/dbraw/zinc/20/00/35/557200035.db2.gz	AAYOSCSLPKUPEN-CIAFOILYSA-N	0	0	407.420	4.465	50	10		HICARN
COc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S	ZINC000001217451	557246609	/nfs/dbraw/zinc/24/66/09/557246609.db2.gz	BRXVDNOQFOUWGL-ATVHPVEESA-N	0	0	416.499	4.064	50	10		HICARN
CN(C)c1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1	ZINC000003878129	557502132	/nfs/dbraw/zinc/50/21/32/557502132.db2.gz	UVHUPSUKZVSFQK-JWGURIENSA-N	0	0	412.449	4.495	50	10		HICARN
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(OC)ccc1OC	ZINC000002812926	557766598	/nfs/dbraw/zinc/76/65/98/557766598.db2.gz	POQDXXAVVDMNFQ-VBKFSLOCSA-N	0	0	413.857	4.234	50	10		HICARN
COc1ccc(-c2c(C)c3ccc([O-])c(C[NH+]4CCCCC4)c3oc2=O)cc1OC	ZINC000004353840	558439451	/nfs/dbraw/zinc/43/94/51/558439451.db2.gz	UXLJJGBAQOYQMV-UHFFFAOYSA-N	0	0	409.482	4.477	50	10		HICARN
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000022008588	558457585	/nfs/dbraw/zinc/45/75/85/558457585.db2.gz	FYJQYAMULMFXRQ-UHFFFAOYSA-N	0	0	415.578	4.282	50	10		HICARN
Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	ZINC000022714884	558506376	/nfs/dbraw/zinc/50/63/76/558506376.db2.gz	BIAPCKQNMVQTAQ-UHFFFAOYSA-N	0	0	420.252	4.354	50	10		HICARN
Cc1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C)n1-c1ccc(F)cc1	ZINC000013112937	558515553	/nfs/dbraw/zinc/51/55/53/558515553.db2.gz	CPAZZSHTWMXRIH-IUSZMWJPSA-N	0	0	400.494	4.331	50	10		HICARN
COc1ccc([C@@H]2CC(c3ccc(OC)cc3O)=NN2C(=O)c2ccccc2)cc1	ZINC000013122511	558517598	/nfs/dbraw/zinc/51/75/98/558517598.db2.gz	WMLQPWQVSXIETO-QFIPXVFZSA-N	0	0	402.450	4.401	50	10		HICARN
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3O)[C@H]2C(=O)N1c1ccccc1Cl	ZINC000013643974	558556236	/nfs/dbraw/zinc/55/62/36/558556236.db2.gz	GZAAGQUPLAXGDE-NJDAHSKKSA-N	0	0	420.852	4.097	50	10		HICARN
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NC1CCCCC1	ZINC000013785641	558593189	/nfs/dbraw/zinc/59/31/89/558593189.db2.gz	LGESLBHQUUIBAI-VBKFSLOCSA-N	0	0	408.976	4.380	50	10		HICARN
CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S	ZINC000025581217	558644534	/nfs/dbraw/zinc/64/45/34/558644534.db2.gz	YDEPQHQTZXHIOY-GZTJUZNOSA-N	0	0	422.491	4.279	50	10		HICARN
COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(C(C)=O)cc3)c2C)cc1	ZINC000014737801	558666339	/nfs/dbraw/zinc/66/63/39/558666339.db2.gz	QHHHHEOATYQOHV-UHFFFAOYSA-N	0	0	405.450	4.345	50	10		HICARN
Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3ccc(N(C)C)cc3)c12	ZINC000028669527	558703433	/nfs/dbraw/zinc/70/34/33/558703433.db2.gz	YZBIQYLXQOCXSM-UHFFFAOYSA-N	0	0	404.445	4.333	50	10		HICARN
COc1cc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc(OC)c1OC	ZINC000015831057	558755258	/nfs/dbraw/zinc/75/52/58/558755258.db2.gz	NIMKUYVIZDZJFX-UHFFFAOYSA-N	0	0	424.497	4.214	50	10		HICARN
CN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)c2ccccc21	ZINC000016214250	558778827	/nfs/dbraw/zinc/77/88/27/558778827.db2.gz	VPVBBAIPNSSCGZ-NXVVXOECSA-N	0	0	400.912	4.088	50	10		HICARN
O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	ZINC000016427951	558790597	/nfs/dbraw/zinc/79/05/97/558790597.db2.gz	ALKRRWSPLNEMPF-XFFZJAGNSA-N	0	0	411.258	4.356	50	10		HICARN
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccn1	ZINC000016672977	558798655	/nfs/dbraw/zinc/79/86/55/558798655.db2.gz	DIKYGZKRMFGOEB-ZNXZVAGTSA-N	0	0	409.536	4.258	50	10		HICARN
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1	ZINC000004603471	558847164	/nfs/dbraw/zinc/84/71/64/558847164.db2.gz	RVRAIYBPCSJYJK-RGEXLXHISA-N	0	0	415.536	4.374	50	10		HICARN
Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N(C)C)c(F)c2)c(Br)c1	ZINC000058163179	558906594	/nfs/dbraw/zinc/90/65/94/558906594.db2.gz	MTLLDCFKBDLRRL-ZDUSSCGKSA-N	0	0	409.299	4.046	50	10		HICARN
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(C(=O)OC)cc1	ZINC000004699099	558907216	/nfs/dbraw/zinc/90/72/16/558907216.db2.gz	JXCUBEHSUSEEIN-VBKFSLOCSA-N	0	0	411.841	4.004	50	10		HICARN
O=[N+]([O-])c1ccccc1-c1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)o1	ZINC000023115460	559012853	/nfs/dbraw/zinc/01/28/53/559012853.db2.gz	HMKHTDCAYMPRNP-UHFFFAOYSA-N	0	0	407.495	4.348	50	10		HICARN
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1	ZINC000033343164	559064848	/nfs/dbraw/zinc/06/48/48/559064848.db2.gz	COTFJCWRQNJXOT-WJDWOHSUSA-N	0	0	419.300	4.012	50	10		HICARN
COc1cc2c(cc1NCC(=O)Nc1ccc3c(c1)OCCO3)oc1ccccc12	ZINC000011619289	559115451	/nfs/dbraw/zinc/11/54/51/559115451.db2.gz	KCSBISAYWPGUFD-UHFFFAOYSA-N	0	0	404.422	4.416	50	10		HICARN
CCCCCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1OC	ZINC000004859954	559192895	/nfs/dbraw/zinc/19/28/95/559192895.db2.gz	BKMJULWCKFAEEM-BXRKRMDBSA-N	0	0	418.559	4.344	50	10		HICARN
CN(C)c1ccc([C@H]2C=C(c3ccc(Cl)cc3OC(F)F)N=C3N=CNN32)cc1	ZINC000100426529	559200090	/nfs/dbraw/zinc/20/00/90/559200090.db2.gz	XYLYMKRFLDNOMG-QGZVFWFLSA-N	0	0	417.847	4.308	50	10		HICARN
CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccccc1C	ZINC000005013632	559228228	/nfs/dbraw/zinc/22/82/28/559228228.db2.gz	KZVRAQHBOMNNCM-NRNHFWIGSA-N	0	0	417.465	4.423	50	10		HICARN
COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(C)cc1	ZINC000005013626	559228240	/nfs/dbraw/zinc/22/82/40/559228240.db2.gz	VMCBIFSQSQLXQH-DGOGAKRRSA-N	0	0	403.438	4.033	50	10		HICARN
O=C1C(=CNCc2ccco2)C(c2ccccc2)=NN1c1nc2ccccc2s1	ZINC000100567651	559228895	/nfs/dbraw/zinc/22/88/95/559228895.db2.gz	ALGXUZXQNOBAEG-SAPNQHFASA-N	0	0	400.463	4.314	50	10		HICARN
COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1	ZINC000005098671	559244497	/nfs/dbraw/zinc/24/44/97/559244497.db2.gz	HLMUHCBCUMFOMD-RUZDIDTESA-N	0	0	415.537	4.295	50	10	aggregator	HICARN
COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C	ZINC000005516030	560603966	/nfs/dbraw/zinc/60/39/66/560603966.db2.gz	AGWMJWDSCNZFBB-GESHDMKESA-N	0	0	421.526	4.378	50	10		HICARN
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1	ZINC000014594978	560846335	/nfs/dbraw/zinc/84/63/35/560846335.db2.gz	YOVSGSULOITEGG-UHFFFAOYSA-N	0	0	408.454	4.150	50	10		HICARN
CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2c(C[NH+](C)C)c1[O-]	ZINC000000630489	568456352	/nfs/dbraw/zinc/45/63/52/568456352.db2.gz	SMLTWMLPLYCADB-UHFFFAOYSA-N	0	0	409.482	4.259	50	10	biogenic	HICARN
COc1ccc(CNCc2ncc(Br)cc2Br)cc1C	ZINC000096013619	568685471	/nfs/dbraw/zinc/68/54/71/568685471.db2.gz	NZDBFQZSVBEKTC-UHFFFAOYSA-N	0	0	400.114	4.213	50	10		HICARN
O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1N1CCOCC1	ZINC000012414304	568716973	/nfs/dbraw/zinc/71/69/73/568716973.db2.gz	FZEVBKKRVCXCEM-WJDWOHSUSA-N	0	0	406.916	4.048	50	10		HICARN
COc1ccccc1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O	ZINC000001103226	568771630	/nfs/dbraw/zinc/77/16/30/568771630.db2.gz	PQZWLRLWEQFQNI-UYRXBGFRSA-N	0	0	415.536	4.156	50	10		HICARN
Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000001162175	568775610	/nfs/dbraw/zinc/77/56/10/568775610.db2.gz	XTEVAKVAKFBAAH-DEDYPNTBSA-N	0	0	402.410	4.100	50	10		HICARN
Cc1cc(C)c2c(N)c(C(=O)OC3CCN(C(=O)Nc4ccccc4)CC3)sc2n1	ZINC000215747011	568797420	/nfs/dbraw/zinc/79/74/20/568797420.db2.gz	BCIHMKYYHZLYKY-UHFFFAOYSA-N	0	0	424.526	4.349	50	10		HICARN
CCN(CC)c1ccc(CNC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)cc1	ZINC000057981415	568871699	/nfs/dbraw/zinc/87/16/99/568871699.db2.gz	ONNUOABWSZEGGR-UHFFFAOYSA-N	0	0	422.529	4.231	50	10		HICARN
COc1cc(OC)c(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1OC	ZINC000003322689	568880638	/nfs/dbraw/zinc/88/06/38/568880638.db2.gz	WGIQGDOHOSOPQT-UHFFFAOYSA-N	0	0	423.465	4.160	50	10		HICARN
CC(=O)c1ccc(NC(=O)CN2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1	ZINC000001265679	568909352	/nfs/dbraw/zinc/90/93/52/568909352.db2.gz	OPKSIGCTIQRPTB-VNVABUEJSA-N	0	0	422.531	4.285	50	10		HICARN
COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S	ZINC000001276949	568909951	/nfs/dbraw/zinc/90/99/51/568909951.db2.gz	PFRYVUGINQQXRS-HIXWQLQUSA-N	0	0	413.520	4.028	50	10		HICARN
Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc2c(c1)OCO2	ZINC000001355688	568915805	/nfs/dbraw/zinc/91/58/05/568915805.db2.gz	XTIAMCHSFGLZTI-UHFFFAOYSA-N	0	0	401.875	4.200	50	10		HICARN
O=C(NN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S)c1ccccc1	ZINC000001411670	568931379	/nfs/dbraw/zinc/93/13/79/568931379.db2.gz	UBHMBSJVAZPGJI-AQTBWJFISA-N	0	0	406.488	4.493	50	10		HICARN
Cc1cc(Cl)ccc1OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000004178575	568948952	/nfs/dbraw/zinc/94/89/52/568948952.db2.gz	DAWYLFDYMCXSPY-UHFFFAOYSA-N	0	0	405.837	4.441	50	10		HICARN
Oc1c(CN2CCN(c3ccccc3F)CC2)cc(Br)c2cccnc12	ZINC000053193561	568987709	/nfs/dbraw/zinc/98/77/09/568987709.db2.gz	VNMWKWVDDVPSBF-UHFFFAOYSA-N	0	0	416.294	4.164	50	10		HICARN
COC(=O)c1ccc([C@@H]2N=C(c3ccc(OC)cc3)C[C@H](c3ccccc3O)N2)cc1	ZINC000053363541	569027601	/nfs/dbraw/zinc/02/76/01/569027601.db2.gz	IALQLKNASWFOCK-ISKFKSNPSA-N	0	0	416.477	4.410	50	10		HICARN
CCCN1C(=O)/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S	ZINC000002205067	569296318	/nfs/dbraw/zinc/29/63/18/569296318.db2.gz	AUFCMWRLWYAEHQ-SSZFMOIBSA-N	0	0	423.519	4.098	50	10		HICARN
COc1cc2ccnc(Cc3cc(OC)c(OC)cc3N=NN(C)C)c2cc1OC	ZINC000252614618	569301251	/nfs/dbraw/zinc/30/12/51/569301251.db2.gz	JKXDSDLQMLPPKS-UHFFFAOYSA-N	0	0	410.474	4.420	50	10		HICARN
O=C1Nc2ccccc2/C1=C1\SC(=S)N(c2ccccc2Br)C1=O	ZINC000002286921	569364548	/nfs/dbraw/zinc/36/45/48/569364548.db2.gz	GXDLBDVKSQECOD-BUHFOSPRSA-N	0	0	417.309	4.177	50	10		HICARN
O=C(c1coc2ccc(O)c(CN3CCN(CC(F)(F)F)CC3)c12)c1ccccc1	ZINC000252493150	569387658	/nfs/dbraw/zinc/38/76/58/569387658.db2.gz	NALGTAUZGGJEEY-UHFFFAOYSA-N	0	0	418.415	4.049	50	10		HICARN
O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCCC[C@@H]1c1cccnc1	ZINC000009348271	571250383	/nfs/dbraw/zinc/25/03/83/571250383.db2.gz	IAWKQLIPSWLIRH-ZJYZBMPFSA-N	0	0	423.563	4.037	50	10		HICARN
COC(=O)Cc1c(C)c2ccc(O)c(CNc3ccc(Cl)c(Cl)c3)c2oc1=O	ZINC000009418797	571256525	/nfs/dbraw/zinc/25/65/25/571256525.db2.gz	WUARNVBCQRXZFC-UHFFFAOYSA-N	0	0	422.264	4.441	50	10		HICARN
COc1ccc(CCN2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)cc1	ZINC000009419850	571256742	/nfs/dbraw/zinc/25/67/42/571256742.db2.gz	IYZKZFASVXTOLE-DEDYPNTBSA-N	0	0	409.532	4.458	50	10		HICARN
COc1ccc2[nH]cc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)c2c1	ZINC000009420078	571256842	/nfs/dbraw/zinc/25/68/42/571256842.db2.gz	YYUXGDMSHMICEZ-FXBPXSCXSA-N	0	0	410.476	4.311	50	10		HICARN
O=C(COC(=O)c1ccccc1NCCO)Nc1ccc(N=Nc2ccccc2)cc1	ZINC000254402692	854210910	/nfs/dbraw/zinc/21/09/10/854210910.db2.gz	FOMLBYXZHDHKBO-UHFFFAOYSA-N	0	0	418.453	4.302	50	10		HICARN
CCCSC1=N/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1	ZINC000004789711	132288712	/nfs/dbraw/zinc/28/87/12/132288712.db2.gz	JZFSEQBPXIMRIA-HEHNFIMWSA-N	0	0	407.539	4.410	50	10		HICARN
CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)N=C2SC)cc1	ZINC000004789665	132288733	/nfs/dbraw/zinc/28/87/33/132288733.db2.gz	VQWSPTGGLPPCIP-PGMHBOJBSA-N	0	0	423.538	4.029	50	10		HICARN
C[C@@H]1CCCN(c2cc(N3CCOCC3)c3c4c2noc4-c2ccccc2C3=O)C1	ZINC000006737875	132314059	/nfs/dbraw/zinc/31/40/59/132314059.db2.gz	CONLTBVSNPGPPJ-OAHLLOKOSA-N	0	0	403.482	4.112	50	10		HICARN
CCc1nc(-c2cc3ccccc3nc2N2CCN(c3ccc(OC)cc3)CC2)no1	ZINC000033318227	132787762	/nfs/dbraw/zinc/78/77/62/132787762.db2.gz	ZSAMTJBKKBIROK-UHFFFAOYSA-N	0	0	415.497	4.182	50	10		HICARN
COc1ccc(-c2nnc(-c3cccnc3NCc3ccc(N(C)C)cc3)o2)cc1	ZINC000035537538	523251339	/nfs/dbraw/zinc/25/13/39/523251339.db2.gz	IYADRRDFWPGCDA-UHFFFAOYSA-N	0	0	401.470	4.485	50	10		HICARN
CSC1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccco4)o3)C(=N)N12	ZINC000032969739	525344360	/nfs/dbraw/zinc/34/43/60/525344360.db2.gz	PWZMUVMUFXZLCA-JPEQSOJWSA-N	0	0	404.498	4.105	50	10		HICARN
Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccccc1	ZINC000041108172	526086913	/nfs/dbraw/zinc/08/69/13/526086913.db2.gz	RGGFJBGUWKXBNS-ZTHFNACSSA-N	0	0	415.478	4.355	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)cc1	ZINC000012556340	536691007	/nfs/dbraw/zinc/69/10/07/536691007.db2.gz	IKVBSYWYWMQFKQ-UHFFFAOYSA-N	0	0	413.930	4.435	50	10		HICARN
COc1ccc2c3ccc(OCC(=O)N4C[C@@H](C)C[C@H](C)C4)c(C)c3oc(=O)c2c1	ZINC000001130688	557197810	/nfs/dbraw/zinc/19/78/10/557197810.db2.gz	WSXCDHZVCHLOTO-GJZGRUSLSA-N	0	0	409.482	4.147	50	10		HICARN
O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1ccc(Br)cc1	ZINC000001136758	557201432	/nfs/dbraw/zinc/20/14/32/557201432.db2.gz	HCIKCEQTNYPAJV-ZSOIEALJSA-N	0	0	408.298	4.266	50	10		HICARN
CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(F)c2)S1	ZINC000001150412	557210589	/nfs/dbraw/zinc/21/05/89/557210589.db2.gz	ISZPESQDIOFTFW-MFOYZWKCSA-N	0	0	404.850	4.165	50	10		HICARN
CCN1C(=O)/C(=C2\c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)SC1=S	ZINC000002672180	557366650	/nfs/dbraw/zinc/36/66/50/557366650.db2.gz	GYBQWTYCOKFKCD-MSUUIHNZSA-N	0	0	414.939	4.478	50	10		HICARN
COc1ccc(OCCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1	ZINC000002878543	557418345	/nfs/dbraw/zinc/41/83/45/557418345.db2.gz	FIRYQHBAQRBXSF-QGOAFFKASA-N	0	0	401.509	4.032	50	10		HICARN
CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccc(OC)cc2)SC1=S	ZINC000002978064	557433820	/nfs/dbraw/zinc/43/38/20/557433820.db2.gz	GUEVRJLYJLVRCU-RGEXLXHISA-N	0	0	415.536	4.374	50	10		HICARN
COC(=O)C1=C(C(=O)OC)SC(=C2c3ccc(C)cc3NC(C)(C)C2=S)S1	ZINC000003880303	557502382	/nfs/dbraw/zinc/50/23/82/557502382.db2.gz	ZHSACTUCBYWYBC-UHFFFAOYSA-N	0	0	421.565	4.275	50	10		HICARN
COc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1	ZINC000004755396	557593491	/nfs/dbraw/zinc/59/34/91/557593491.db2.gz	CPJUSMOPYIMOBU-XMHGGMMESA-N	0	0	415.536	4.374	50	10		HICARN
COc1cc(C=C2SC(=S)NC2=O)ccc1OCCCOc1ccccc1C	ZINC000004755130	557593562	/nfs/dbraw/zinc/59/35/62/557593562.db2.gz	OHLPTYIAZLAGIH-CPNJWEJPSA-N	0	0	415.536	4.340	50	10		HICARN
Cc1c(N2C(=O)/C(=C\[C@H]3CC=CCC3)SC2=S)c(=O)n(-c2ccccc2)n1C	ZINC000004832289	557604128	/nfs/dbraw/zinc/60/41/28/557604128.db2.gz	MKIGVKWUTCNDLG-XOAFGZPJSA-N	0	0	411.552	4.089	50	10		HICARN
O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccc(O)c(O)c1	ZINC000013137139	558521486	/nfs/dbraw/zinc/52/14/86/558521486.db2.gz	UTQSVMDBAAGADQ-UHFFFAOYSA-N	0	0	423.519	4.441	50	10		HICARN
COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	ZINC000014010520	558613242	/nfs/dbraw/zinc/61/32/42/558613242.db2.gz	ZBDFJLWSHNUIHU-FMQZQXMHSA-N	0	0	405.281	4.361	50	10		HICARN
COc1cccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1OC	ZINC000015008424	558699514	/nfs/dbraw/zinc/69/95/14/558699514.db2.gz	LHAYYPVQOLOLDI-SFQUDFHCSA-N	0	0	400.525	4.176	50	10		HICARN
C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)C[C@H](C)O1	ZINC000004557525	558726379	/nfs/dbraw/zinc/72/63/79/558726379.db2.gz	SOJZAOVYKAZTPV-UQKXMBGOSA-N	0	0	408.523	4.345	50	10		HICARN
Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	ZINC000004562040	558732462	/nfs/dbraw/zinc/73/24/62/558732462.db2.gz	OEJRFKIFAQNZOR-STZFKDTASA-N	0	0	415.518	4.018	50	10		HICARN
Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccc(N(C)C)cc2)cc1	ZINC000015413276	558738517	/nfs/dbraw/zinc/73/85/17/558738517.db2.gz	VHWFPELZACHYMA-DEOSSOPVSA-N	0	0	417.484	4.321	50	10		HICARN
COc1ccc(N2CCN(c3nccn4nc(-c5ccc(Cl)cc5)cc34)CC2)cc1	ZINC000033266291	558763140	/nfs/dbraw/zinc/76/31/40/558763140.db2.gz	WEVWUQRMLAQLSC-UHFFFAOYSA-N	0	0	419.916	4.385	50	10		HICARN
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1	ZINC000034746850	558783433	/nfs/dbraw/zinc/78/34/33/558783433.db2.gz	DETXYGQYFBLZHO-OOEDSJJISA-N	0	0	421.526	4.378	50	10		HICARN
CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc1	ZINC000016770020	558806337	/nfs/dbraw/zinc/80/63/37/558806337.db2.gz	NCLUGTZYIPEYLQ-AQTBWJFISA-N	0	0	412.536	4.185	50	10		HICARN
Cc1cc(-c2csc(NC(=O)c3ccc(=O)[nH]n3)n2)c(C)n1-c1ccc(F)cc1	ZINC000033000009	558826485	/nfs/dbraw/zinc/82/64/85/558826485.db2.gz	SENSURVSUVQVSS-UHFFFAOYSA-N	0	0	409.446	4.105	50	10		HICARN
CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)S1	ZINC000004662632	558874859	/nfs/dbraw/zinc/87/48/59/558874859.db2.gz	GSMSOARELQYOMY-ZDLGFXPLSA-N	0	0	400.887	4.334	50	10		HICARN
CCCCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)OC)C2=O)cc1OC	ZINC000013810614	558884413	/nfs/dbraw/zinc/88/44/13/558884413.db2.gz	PUWBJHREYORWHL-SFQUDFHCSA-N	0	0	423.556	4.029	50	10		HICARN
CCCC(=O)NC[C@H]1CCCN(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1	ZINC000058224973	558913412	/nfs/dbraw/zinc/91/34/12/558913412.db2.gz	KORYLJHAQQDXSL-OAQYLSRUSA-N	0	0	409.574	4.214	50	10		HICARN
O=C(NCc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(-n3cccc3)cc2)no1	ZINC000004707466	558913916	/nfs/dbraw/zinc/91/39/16/558913916.db2.gz	QUWBAQGZMGEEPE-UHFFFAOYSA-N	0	0	412.371	4.476	50	10		HICARN
COc1cccc(NC(=O)c2ccc3c(c2SC)C(=O)c2ccccc2C3=O)c1	ZINC000004718143	558915974	/nfs/dbraw/zinc/91/59/74/558915974.db2.gz	BXHZFZVJLLFROR-UHFFFAOYSA-N	0	0	403.459	4.445	50	10		HICARN
Cc1cc(C(=O)Nc2ccccc2CS(C)(=O)=O)c(C)n1-c1ccccc1F	ZINC000059013861	558931691	/nfs/dbraw/zinc/93/16/91/558931691.db2.gz	AWUPKGYQVBPBAE-UHFFFAOYSA-N	0	0	400.475	4.030	50	10		HICARN
COc1ccc(/C=C\C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1F	ZINC000096809607	558986708	/nfs/dbraw/zinc/98/67/08/558986708.db2.gz	CAMIQKMOEJCLFO-DXAOBPHNSA-N	0	0	412.505	4.121	50	10		HICARN
COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)C(C)(C)C)CC2)cc1	ZINC000023181555	559031476	/nfs/dbraw/zinc/03/14/76/559031476.db2.gz	HBALENVETKAKHR-LAUBAEHRSA-N	0	0	415.603	4.171	50	10		HICARN
COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C=C(C)SC4=NC3=O)cc2)c1	ZINC000033333392	559063243	/nfs/dbraw/zinc/06/32/43/559063243.db2.gz	AUMAVQKLAPEVGH-QAMDQIOTSA-N	0	0	419.462	4.081	50	10		HICARN
COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1	ZINC000005098628	559245299	/nfs/dbraw/zinc/24/52/99/559245299.db2.gz	MPVFIVSHBLAJPI-RUZDIDTESA-N	0	0	415.537	4.295	50	10		HICARN
CN1c2ccccc2/C(=C/c2nc3ccccc3c(=O)n2CCc2ccccc2)C1=O	ZINC000005274374	560561329	/nfs/dbraw/zinc/56/13/29/560561329.db2.gz	YSTXUQDCMGWVKJ-FXBPSFAMSA-N	0	0	407.473	4.156	50	10		HICARN
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c1C	ZINC000005516050	560604074	/nfs/dbraw/zinc/60/40/74/560604074.db2.gz	XHCQAUHMHWBOSL-WRMKFNBDSA-N	0	0	413.890	4.005	50	10		HICARN
O=C1/C(=C\c2ccc3c(c2)OCO3)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1	ZINC000005048658	560736822	/nfs/dbraw/zinc/73/68/22/560736822.db2.gz	PNTVSYCQJLSEAC-UNOMPAQXSA-N	0	0	413.389	4.158	50	10		HICARN
Cc1cc(NC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)n(-c2ccccc2)n1	ZINC000005751451	560883622	/nfs/dbraw/zinc/88/36/22/560883622.db2.gz	AIHVQULAELLPKW-UHFFFAOYSA-N	0	0	407.429	4.208	50	10		HICARN
COc1cccc(OCCOc2ccc(Cl)cc2C=C2SC(=S)NC2=O)c1	ZINC000012285225	568458187	/nfs/dbraw/zinc/45/81/87/568458187.db2.gz	HXVNICDCQHUTBE-LICLKQGHSA-N	0	0	421.927	4.295	50	10		HICARN
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(Nc2ncccn2)c1	ZINC000024768898	568462462	/nfs/dbraw/zinc/46/24/62/568462462.db2.gz	YLTYPGOOTDQOLO-UHFFFAOYSA-N	0	0	401.514	4.483	50	10		HICARN
CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(OC(C)C)c(OC)c3)C2=O)cc1	ZINC000033335195	568514079	/nfs/dbraw/zinc/51/40/79/568514079.db2.gz	QSRXIAUUOZZGBJ-MOSHPQCFSA-N	0	0	422.481	4.465	50	10		HICARN
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(F)cc1	ZINC000001013927	568763113	/nfs/dbraw/zinc/76/31/13/568763113.db2.gz	OWSRLBLVWJDUJE-GZTJUZNOSA-N	0	0	417.483	4.275	50	10		HICARN
Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000002629651	568790148	/nfs/dbraw/zinc/79/01/48/568790148.db2.gz	ISYIIGPYAVDFNU-UHFFFAOYSA-N	0	0	413.905	4.185	50	10		HICARN
COc1cc(CC[C@H]2C[C@@H](CCc3ccc(O)c(O)c3)OC(C)(C)O2)ccc1O	ZINC000261492812	568820603	/nfs/dbraw/zinc/82/06/03/568820603.db2.gz	FGAJAOHCMGSDRJ-MSOLQXFVSA-N	0	0	402.487	4.288	50	10		HICARN
COc1ccc(-c2ccc(C=C3C(=O)OC(c4ccccc4)OC3=O)o2)c([N+](=O)[O-])c1	ZINC000001185535	568822458	/nfs/dbraw/zinc/82/24/58/568822458.db2.gz	HVCBLHOLOIPDQP-UHFFFAOYSA-N	0	0	421.361	4.046	50	10		HICARN
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000003659044	568923261	/nfs/dbraw/zinc/92/32/61/568923261.db2.gz	BOHDJBIWZYWUKF-CIAFOILYSA-N	0	0	407.420	4.465	50	10		HICARN
COc1ccc(OC)c(-c2cc3ccc([O-])c(C[NH+]4CCC(C)CC4)c3oc2=O)c1	ZINC000004088919	568941423	/nfs/dbraw/zinc/94/14/23/568941423.db2.gz	SBBDYMCXIUOOQS-UHFFFAOYSA-N	0	0	409.482	4.415	50	10	biogenic	HICARN
COc1ccc(-c2coc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)c2=O)cc1OC	ZINC000006263641	569036206	/nfs/dbraw/zinc/03/62/06/569036206.db2.gz	VKGRHQCPYQZSPP-UHFFFAOYSA-N	0	0	409.482	4.415	50	10	biogenic	HICARN
COc1ccc(N2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)cc1	ZINC000002629087	569060520	/nfs/dbraw/zinc/06/05/20/569060520.db2.gz	MHTFKBIGFJYNTO-UHFFFAOYSA-N	0	0	409.711	4.074	50	10		HICARN
Cc1cc(C(=O)CSc2nc3nc(C)cc(C)n3n2)c(C)n1-c1ccc(F)cc1	ZINC000006623649	569075147	/nfs/dbraw/zinc/07/51/47/569075147.db2.gz	JGGBXTLBIIJZKU-UHFFFAOYSA-N	0	0	409.490	4.263	50	10		HICARN
CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(C=C2SC(N)=NC2=O)cc1	ZINC000138365535	569093864	/nfs/dbraw/zinc/09/38/64/569093864.db2.gz	YUJONWSYHZFKCY-XCMZPOAWSA-N	0	0	411.310	4.112	50	10		HICARN
CC[C@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC)C(=O)C1CCC1	ZINC000006711485	569096641	/nfs/dbraw/zinc/09/66/41/569096641.db2.gz	VEFIHNMAWIIDJU-KRWDZBQOSA-N	0	0	424.607	4.189	50	10		HICARN
COC(=O)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4O)=NN32)cc1	ZINC000006721617	569099191	/nfs/dbraw/zinc/09/91/91/569099191.db2.gz	PVVJSNNRVIVJAX-NZQKXSOJSA-N	0	0	400.434	4.421	50	10		HICARN
Cc1onc(-c2ccc(Br)s2)c1C(=O)NCc1ccc(N(C)C)cc1	ZINC000064820245	569102556	/nfs/dbraw/zinc/10/25/56/569102556.db2.gz	VEUWFGOSFBRPFN-UHFFFAOYSA-N	0	0	420.332	4.470	50	10		HICARN
Cc1cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ccc1Cl	ZINC000006747952	569108656	/nfs/dbraw/zinc/10/86/56/569108656.db2.gz	UREHZUJFDOCNLO-NRFANRHFSA-N	0	0	416.949	4.301	50	10		HICARN
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCc2ccccc21	ZINC000006973098	569191988	/nfs/dbraw/zinc/19/19/88/569191988.db2.gz	BYQWUNNNIIHDDK-UHFFFAOYSA-N	0	0	421.522	4.023	50	10		HICARN
CCCn1ncc2c1nc(C1CC1)cc2C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000036616264	569207411	/nfs/dbraw/zinc/20/74/11/569207411.db2.gz	OVJWTEKDPZLDBZ-UHFFFAOYSA-N	0	0	403.530	4.249	50	10		HICARN
Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc2c(c1)OCCO2	ZINC000007423311	569237792	/nfs/dbraw/zinc/23/77/92/569237792.db2.gz	WZXMKPXLEBLBHI-UHFFFAOYSA-N	0	0	415.902	4.243	50	10		HICARN
COc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc(OC)c1	ZINC000007423460	569237800	/nfs/dbraw/zinc/23/78/00/569237800.db2.gz	RCBJFOWNYWWINO-UHFFFAOYSA-N	0	0	417.918	4.489	50	10		HICARN
COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)c(Br)cc1O	ZINC000013914959	569258221	/nfs/dbraw/zinc/25/82/21/569258221.db2.gz	NNGAIUXXHBQHFO-NVNXTCNLSA-N	0	0	401.260	4.278	50	10		HICARN
Cc1ccccc1C(=O)NC(NC(=O)c1ccccc1C)c1ccc(N(C)C)cc1	ZINC000002065126	569282513	/nfs/dbraw/zinc/28/25/13/569282513.db2.gz	DZUOJPZRGRPNBM-UHFFFAOYSA-N	0	0	401.510	4.228	50	10		HICARN
O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1N1CCOCC1	ZINC000007778868	569309213	/nfs/dbraw/zinc/30/92/13/569309213.db2.gz	FZEVBKKRVCXCEM-LFIBNONCSA-N	0	0	406.916	4.048	50	10		HICARN
CC(C)c1nnc(NC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)s1	ZINC000040115016	571172781	/nfs/dbraw/zinc/17/27/81/571172781.db2.gz	VCKSPNTUIVCVHB-UHFFFAOYSA-N	0	0	411.870	4.343	50	10		HICARN
CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=S)N[C@H]1c1ccc(N(C)C)cc1	ZINC000009422001	571257189	/nfs/dbraw/zinc/25/71/89/571257189.db2.gz	WMDRZFRRDNUZBR-QFIPXVFZSA-N	0	0	423.582	4.064	50	10		HICARN
Cc1csc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)n1	ZINC000001826717	571309620	/nfs/dbraw/zinc/30/96/20/571309620.db2.gz	TXRUORRSORJQLG-GDNBJRDFSA-N	0	0	417.581	4.380	50	10		HICARN
Cc1ccc(C=CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)o1	ZINC000006865699	845220308	/nfs/dbraw/zinc/22/03/08/845220308.db2.gz	SCYNABYRRLKZQD-VQHVLOKHSA-N	0	0	407.422	4.164	50	10		HICARN
O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(C(=O)c2ccccc2)CC1	ZINC000009157306	845561471	/nfs/dbraw/zinc/56/14/71/845561471.db2.gz	WRKZAQSLEZVVOR-NTCAYCPXSA-N	0	0	417.553	4.065	50	10		HICARN
COc1ccc(C(=O)Nc2cccc(/C=C3\SC(=S)N(C4CC4)C3=O)c2)cc1	ZINC000054498944	849880055	/nfs/dbraw/zinc/88/00/55/849880055.db2.gz	CGJQYZDUMVTXDA-PDGQHHTCSA-N	0	0	410.520	4.311	50	10		HICARN
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)OCc1cccc(F)c1	ZINC000096937138	852560086	/nfs/dbraw/zinc/56/00/86/852560086.db2.gz	AWZITHYAPBPKGR-GZTJUZNOSA-N	0	0	419.474	4.300	50	10		HICARN
COc1cc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc(OC)c1OC	ZINC000006804528	132317794	/nfs/dbraw/zinc/31/77/94/132317794.db2.gz	QGHRCBFKGXRWGQ-UHFFFAOYSA-N	0	0	419.433	4.329	50	10		HICARN
O=C1c2ccccc2N[C@@H](c2cc(O)c(O)c(Cl)c2)N1c1ccc2c(c1)OCO2	ZINC000007364019	132324167	/nfs/dbraw/zinc/32/41/67/132324167.db2.gz	OTMXLRCQRUJOBQ-HXUWFJFHSA-N	0	0	410.813	4.251	50	10		HICARN
CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(O)c(O)c(OC)c2)cc1	ZINC000007884091	132326140	/nfs/dbraw/zinc/32/61/40/132326140.db2.gz	KBJMZQQKRSMHLU-JOCHJYFZSA-N	0	0	406.438	4.276	50	10		HICARN
c1nc2n(n1)[C@H](c1cccc3ccccc31)CC(c1ccc(N3CCOCC3)cc1)=N2	ZINC000009367981	132339018	/nfs/dbraw/zinc/33/90/18/132339018.db2.gz	XGROBWZIJGQXBL-DEOSSOPVSA-N	0	0	409.493	4.324	50	10		HICARN
c1nc2n(n1)[C@@H](c1cccc3ccccc31)CC(c1ccc(N3CCOCC3)cc1)=N2	ZINC000009367982	132339057	/nfs/dbraw/zinc/33/90/57/132339057.db2.gz	XGROBWZIJGQXBL-XMMPIXPASA-N	0	0	409.493	4.324	50	10		HICARN
Cc1cc(CCNC(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccccc1	ZINC000009617020	132341762	/nfs/dbraw/zinc/34/17/62/132341762.db2.gz	KHWRVQXTMXWMRS-UHFFFAOYSA-N	0	0	402.542	4.168	50	10		HICARN
CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCCc3ccccc32)c1	ZINC000009661514	132342126	/nfs/dbraw/zinc/34/21/26/132342126.db2.gz	ALMFLTSGSKUTMN-UHFFFAOYSA-N	0	0	412.493	4.142	50	10		HICARN
CC1=CN2C(=NC(=O)/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)C2=N)S1	ZINC000020037416	520877323	/nfs/dbraw/zinc/87/73/23/520877323.db2.gz	OMPHDABEPWNMBK-HWICUKGISA-N	0	0	419.462	4.161	50	10		HICARN
COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)N1CCc2ccccc21	ZINC000044085884	522051938	/nfs/dbraw/zinc/05/19/38/522051938.db2.gz	HNYWNVHIOWPRKW-UHFFFAOYSA-N	0	0	407.539	4.186	50	10		HICARN
CS(=O)(=O)CCSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1	ZINC000043012751	525129477	/nfs/dbraw/zinc/12/94/77/525129477.db2.gz	XOCZBVRHVUKNIE-UHFFFAOYSA-N	0	0	406.960	4.389	50	10		HICARN
O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc2cccnc21	ZINC000032623756	526475904	/nfs/dbraw/zinc/47/59/04/526475904.db2.gz	DSEFNJFJIZJFDO-JXAWBTAJSA-N	0	0	419.531	4.465	50	10		HICARN
CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c1O	ZINC000012608466	535475536	/nfs/dbraw/zinc/47/55/36/535475536.db2.gz	WMSFLTCWRBLXKL-HSZRJFAPSA-N	0	0	418.449	4.333	50	10		HICARN
COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O	ZINC000001146501	557208146	/nfs/dbraw/zinc/20/81/46/557208146.db2.gz	MRKOKDWNNVZKMC-UDWIEESQSA-N	0	0	420.490	4.457	50	10		HICARN
Cc1cc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)no1	ZINC000001183414	557232371	/nfs/dbraw/zinc/23/23/71/557232371.db2.gz	PXJCYZMTWRJKLI-UVTDQMKNSA-N	0	0	421.931	4.257	50	10		HICARN
COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1	ZINC000001416724	557260191	/nfs/dbraw/zinc/26/01/91/557260191.db2.gz	GPJJJQJWGMLVJR-PDGQHHTCSA-N	0	0	400.525	4.176	50	10		HICARN
CCN1C(=O)/C(=C/c2cccc(OCCOc3ccc(OC)cc3)c2)SC1=S	ZINC000002977726	557433770	/nfs/dbraw/zinc/43/37/70/557433770.db2.gz	RXKNFIQRNVRZAR-RGEXLXHISA-N	0	0	415.536	4.374	50	10		HICARN
CCN1C(=O)/C(=C/c2ccc(OCCOc3ccc(OC)cc3)cc2)SC1=S	ZINC000005102429	557636155	/nfs/dbraw/zinc/63/61/55/557636155.db2.gz	VFAXSJGINGKPNX-RGEXLXHISA-N	0	0	415.536	4.374	50	10		HICARN
COc1cc(C=C2SC(NC3CCCCC3)=NC2=O)cc(OC)c1OC(F)F	ZINC000007209272	557736903	/nfs/dbraw/zinc/73/69/03/557736903.db2.gz	LHTSSHSQVNNUHG-GDNBJRDFSA-N	0	0	412.458	4.198	50	10		HICARN
CCCCN1C(=O)C(=CNc2ccc(Cl)cc2)C(=O)N(Cc2ccco2)C1=O	ZINC000013122848	558517580	/nfs/dbraw/zinc/51/75/80/558517580.db2.gz	QZCOFECTTSBTNJ-SFQUDFHCSA-N	0	0	401.850	4.020	50	10		HICARN
N=C1/C(=C\c2coc3ccc(Cl)cc3c2=O)C(=O)N=C2Sc3ccccc3N21	ZINC000013539736	558537520	/nfs/dbraw/zinc/53/75/20/558537520.db2.gz	LNSXVOJCKMYIOO-RXPBZUCUSA-N	0	0	407.838	4.316	50	10		HICARN
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)cc1	ZINC000013800308	558594601	/nfs/dbraw/zinc/59/46/01/558594601.db2.gz	CWPQGSPRKIHADF-SILNSSARSA-N	0	0	424.591	4.335	50	10		HICARN
CC1=CC2=NC(=O)/C(=C/c3cccn3Cc3c(Cl)cccc3Cl)C(=N)N2O1	ZINC000013814162	558596049	/nfs/dbraw/zinc/59/60/49/558596049.db2.gz	HVJYPMZYENUJLZ-IASXGRABSA-N	0	0	401.253	4.294	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N2CCc3sccc3[C@@H]2C)cc1	ZINC000024777316	558612666	/nfs/dbraw/zinc/61/26/66/558612666.db2.gz	IMKUFPLMLHSUQW-KRWDZBQOSA-N	0	0	407.539	4.031	50	10		HICARN
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2ccc(O)c(OC)c2)cc1	ZINC000013483744	558713269	/nfs/dbraw/zinc/71/32/69/558713269.db2.gz	AGIHMWDHSMXRHE-ZHZULCJRSA-N	0	0	400.434	4.244	50	10		HICARN
CCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O	ZINC000039708025	558822408	/nfs/dbraw/zinc/82/24/08/558822408.db2.gz	ZMWXCFUGRBATKA-IBGZPJMESA-N	0	0	400.862	4.227	50	10		HICARN
CCN1C(=O)/C(=C/c2cccc(OCCOc3ccccc3OC)c2)SC1=S	ZINC000004672045	558886027	/nfs/dbraw/zinc/88/60/27/558886027.db2.gz	WTQFGIQTIKLERN-RGEXLXHISA-N	0	0	415.536	4.374	50	10		HICARN
CN1CCN(C2=NC(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)CC1	ZINC000023109671	559011885	/nfs/dbraw/zinc/01/18/85/559011885.db2.gz	VTSVUDWSZZKQCW-SFQUDFHCSA-N	0	0	421.444	4.183	50	10		HICARN
Cc1ccc(-c2nc(NCc3ccc(N(C)C)cc3)n(C(=O)c3ccco3)n2)cc1	ZINC000004747728	559046069	/nfs/dbraw/zinc/04/60/69/559046069.db2.gz	JANURKRUFXGDSX-UHFFFAOYSA-N	0	0	401.470	4.213	50	10		HICARN
O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(/N=N/N2CCCCC2)cc1	ZINC000004795632	559066381	/nfs/dbraw/zinc/06/63/81/559066381.db2.gz	KMXUXGMQKMOZEW-ZNTNEXAZSA-N	0	0	402.564	4.418	50	10		HICARN
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCc1cccc(C(F)(F)F)c1	ZINC000100380102	559134644	/nfs/dbraw/zinc/13/46/44/559134644.db2.gz	PIJUIVUDCZWMKI-BOPFTXTBSA-N	0	0	404.348	4.010	50	10		HICARN
CN(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)Cc2ccccc2)cc1	ZINC000014610811	559171047	/nfs/dbraw/zinc/17/10/47/559171047.db2.gz	XVYBRIQONIXZGL-UHFFFAOYSA-N	0	0	401.470	4.099	50	10		HICARN
Cc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(N(C)C)cc2)cc1	ZINC000014610821	559171052	/nfs/dbraw/zinc/17/10/52/559171052.db2.gz	PFBAAJGRNSZWGE-UHFFFAOYSA-N	0	0	401.470	4.213	50	10		HICARN
Cc1cccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(N(C)C)cc2)c1	ZINC000014610843	559171056	/nfs/dbraw/zinc/17/10/56/559171056.db2.gz	MHTULOZFMKWVLG-UHFFFAOYSA-N	0	0	401.470	4.213	50	10		HICARN
Cc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1	ZINC000004909158	559201227	/nfs/dbraw/zinc/20/12/27/559201227.db2.gz	IBMRCYPEIWVKBK-ISFDWQSPSA-N	0	0	401.451	4.046	50	10		HICARN
COc1ccccc1C(C1C(=O)c2ccccc2C1=O)C1C(=O)c2ccccc2C1=O	ZINC000135753709	559223434	/nfs/dbraw/zinc/22/34/34/559223434.db2.gz	NDEHAUVLUWDERS-UHFFFAOYSA-N	0	0	410.425	4.170	50	10		HICARN
CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1ccc(C)cc1	ZINC000005013650	559228221	/nfs/dbraw/zinc/22/82/21/559228221.db2.gz	UXRRVPYWSCFKME-NRNHFWIGSA-N	0	0	417.465	4.423	50	10		HICARN
CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1cccc(C)c1	ZINC000005013638	559228229	/nfs/dbraw/zinc/22/82/29/559228229.db2.gz	SKQYOIGDCVIQSG-NRNHFWIGSA-N	0	0	417.465	4.423	50	10		HICARN
CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2)N2CCc3ccccc32)cc1	ZINC000005098643	559244544	/nfs/dbraw/zinc/24/45/44/559244544.db2.gz	MJZHTNYVJHRLPO-VWLOTQADSA-N	0	0	415.537	4.052	50	10		HICARN
CCCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)NN(c2ccc(C)c(C)c2)C1=O	ZINC000004046429	560598141	/nfs/dbraw/zinc/59/81/41/560598141.db2.gz	IQKIROXOGLBRIN-PXLXIMEGSA-N	0	0	421.541	4.400	50	10		HICARN
COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	ZINC000101673658	560797870	/nfs/dbraw/zinc/79/78/70/560797870.db2.gz	IHPRUDTWXNOQBA-OVCLIPMQSA-N	0	0	405.281	4.361	50	10		HICARN
CSc1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)c1	ZINC000048988442	568444086	/nfs/dbraw/zinc/44/40/86/568444086.db2.gz	LTKCQOUDTMHJRJ-UHFFFAOYSA-N	0	0	414.552	4.188	50	10		HICARN
COc1ccc2c3c(n(CCCc4ccco4)c(=O)c2c1OC)-c1ccccc1C3=O	ZINC000604405196	568492461	/nfs/dbraw/zinc/49/24/61/568492461.db2.gz	MUDBZBJBCMOYIU-UHFFFAOYSA-N	0	0	415.445	4.456	50	10		HICARN
Cc1oc2c(ccc([O-])c2C[NH+](C)C)c(=O)c1Oc1ccccc1Br	ZINC000020357596	568600163	/nfs/dbraw/zinc/60/01/63/568600163.db2.gz	RIKJMKAXBGWQHX-UHFFFAOYSA-N	0	0	404.260	4.423	50	10		HICARN
Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccc(F)cc1	ZINC000000959197	568758301	/nfs/dbraw/zinc/75/83/01/568758301.db2.gz	YNFPFBUTSIIMEB-UHFFFAOYSA-N	0	0	407.474	4.184	50	10		HICARN
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(C)cc1	ZINC000000975348	568759545	/nfs/dbraw/zinc/75/95/45/568759545.db2.gz	CYSXPMJCECXCDZ-LDADJPATSA-N	0	0	413.520	4.444	50	10		HICARN
Cc1cc(C(=O)[C@H](C)Sc2nnc(N)s2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000002640371	568793474	/nfs/dbraw/zinc/79/34/74/568793474.db2.gz	VPAUISBDVXISGW-NSHDSACASA-N	0	0	424.498	4.493	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C/c1ccccc1OC	ZINC000005824273	568824219	/nfs/dbraw/zinc/82/42/19/568824219.db2.gz	GOFRWAHEJLLZBD-LFIBNONCSA-N	0	0	413.857	4.234	50	10		HICARN
Cc1c(N2C(=O)/C(=C/[C@@H]3CC=CCC3)SC2=S)c(=O)n(-c2ccccc2)n1C	ZINC000001791558	568835401	/nfs/dbraw/zinc/83/54/01/568835401.db2.gz	MKIGVKWUTCNDLG-WIZMWCRPSA-N	0	0	411.552	4.089	50	10		HICARN
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1	ZINC000012564988	568859866	/nfs/dbraw/zinc/85/98/66/568859866.db2.gz	IHJGMWBPLHIBLO-UHFFFAOYSA-N	0	0	409.559	4.031	50	10		HICARN
COc1cc(/C=C2\C(C)=NN(c3cccc(Cl)c3)C2=O)cc2sc(=O)oc21	ZINC000003891101	568869285	/nfs/dbraw/zinc/86/92/85/568869285.db2.gz	QDOAPTXVJDBHEU-MKMNVTDBSA-N	0	0	400.843	4.323	50	10	biogenic	HICARN
O=C(CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1nccs1	ZINC000001235723	568886207	/nfs/dbraw/zinc/88/62/07/568886207.db2.gz	OVUBMNJTAIYRRW-RAXLEYEMSA-N	0	0	423.972	4.417	50	10		HICARN
COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccc(O)cc3)C2=S)cc1	ZINC000001236296	568897221	/nfs/dbraw/zinc/89/72/21/568897221.db2.gz	SHZPUOLGFWOLAO-SFQUDFHCSA-N	0	0	414.508	4.267	50	10		HICARN
CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O	ZINC000001416568	568933833	/nfs/dbraw/zinc/93/38/33/568933833.db2.gz	RUFBQDCXYIMZJZ-QFGUUYLXSA-N	0	0	412.536	4.410	50	10		HICARN
Cc1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)c(C)n1-c1ccc(F)cc1	ZINC000084080255	568936234	/nfs/dbraw/zinc/93/62/34/568936234.db2.gz	RSRXGZOTIKBRTE-UHFFFAOYSA-N	0	0	412.436	4.211	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2cccn2C)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000004246889	568953485	/nfs/dbraw/zinc/95/34/85/568953485.db2.gz	SIARENHAHOJWGF-UHFFFAOYSA-N	0	0	402.397	4.074	50	10		HICARN
Cc1cc(C(=O)C(=O)Nc2nnc(-c3ccncc3)s2)c(C)n1-c1ccc(C)cc1	ZINC000015673781	568963017	/nfs/dbraw/zinc/96/30/17/568963017.db2.gz	QBUDOZJUARXDBV-UHFFFAOYSA-N	0	0	417.494	4.137	50	10		HICARN
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1cccc(C)c1	ZINC000006217268	569033277	/nfs/dbraw/zinc/03/32/77/569033277.db2.gz	FKKDDLYWVFWDMD-CPNJWEJPSA-N	0	0	415.536	4.292	50	10		HICARN
CCCOc1cc(N(CC)CC)ccc1/C=C1/C(=O)NN(c2ccc(C)c(C)c2)C1=O	ZINC000016678240	569070308	/nfs/dbraw/zinc/07/03/08/569070308.db2.gz	IQKIROXOGLBRIN-JCMHNJIXSA-N	0	0	421.541	4.400	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC3(C)C)c1	ZINC000006721835	569099408	/nfs/dbraw/zinc/09/94/08/569099408.db2.gz	YZTOYAHPAUKPNZ-INIZCTEOSA-N	0	0	403.276	4.443	50	10		HICARN
COc1ccc(Cc2nc3ccc(C(=O)NCc4ccc(N(C)C)cc4)cc3o2)cc1	ZINC000064968458	569137993	/nfs/dbraw/zinc/13/79/93/569137993.db2.gz	PDQADRWKTVJQSK-UHFFFAOYSA-N	0	0	415.493	4.423	50	10		HICARN
O=C(C1=CN(c2ccc(C(F)(F)F)cc2)c2ccccc2S1(=O)=O)N1CCCC1	ZINC000065096212	569176674	/nfs/dbraw/zinc/17/66/74/569176674.db2.gz	XZADCGYCNDCEQK-UHFFFAOYSA-N	0	0	422.428	4.095	50	10		HICARN
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N(C)Cc1ccccc1	ZINC000006973093	569191946	/nfs/dbraw/zinc/19/19/46/569191946.db2.gz	XTBGKRNGQWHIAL-UHFFFAOYSA-N	0	0	423.538	4.092	50	10		HICARN
CCC(=O)OCCNc1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000002357378	569385449	/nfs/dbraw/zinc/38/54/49/569385449.db2.gz	FDSZQPHPMQAEGC-UHFFFAOYSA-N	0	0	415.243	4.167	50	10		HICARN
Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000013071188	569408548	/nfs/dbraw/zinc/40/85/48/569408548.db2.gz	VOKJYOLVBDKJDN-VOIUYBSRSA-N	0	0	407.514	4.086	50	10		HICARN
Cc1cc(Br)cc(Cl)c1OCC(=O)NCc1ccc(N(C)C)cc1	ZINC000008726034	571108324	/nfs/dbraw/zinc/10/83/24/571108324.db2.gz	SUENNLPFAVBQFS-UHFFFAOYSA-N	0	0	411.727	4.172	50	10		HICARN
CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2CC)c2cc(Br)ccc21	ZINC000008913817	571150341	/nfs/dbraw/zinc/15/03/41/571150341.db2.gz	ZWPKCMHGTJOOQK-VBKFSLOCSA-N	0	0	424.298	4.086	50	10		HICARN
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NC2CC2)cc1	ZINC000009060362	571217116	/nfs/dbraw/zinc/21/71/16/571217116.db2.gz	CVZUBANSZCVRHA-UYRXBGFRSA-N	0	0	404.495	4.082	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccncc2)c1	ZINC000245295987	571223431	/nfs/dbraw/zinc/22/34/31/571223431.db2.gz	IGHQPDUXYASWSO-CVDCTZTESA-N	0	0	403.438	4.047	50	10		HICARN
CN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S	ZINC000009296467	571245913	/nfs/dbraw/zinc/24/59/13/571245913.db2.gz	PKFSEDKPJDGLNI-OVCLIPMQSA-N	0	0	417.424	4.126	50	10		HICARN
CCNC(=O)c1cccc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)c1	ZINC000010185984	571295857	/nfs/dbraw/zinc/29/58/57/571295857.db2.gz	YUTIWVDYZQABCM-UHFFFAOYSA-N	0	0	417.465	4.395	50	10		HICARN
CCOc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)ccc1OCc1ccccc1F	ZINC000004644046	845065384	/nfs/dbraw/zinc/06/53/84/845065384.db2.gz	JDJLYYKEOUKOMK-DALCUZTNSA-N	0	0	424.457	4.052	50	10		HICARN
O=C1N=C(NC2CCCC2)SC1=Cc1cn(-c2ccccc2)nc1-c1cccnc1	ZINC000008519256	845532038	/nfs/dbraw/zinc/53/20/38/845532038.db2.gz	QEXGCPNKLYASSP-DEDYPNTBSA-N	0	0	415.522	4.437	50	10		HICARN
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccccc2Br)o1	ZINC000026763598	847194226	/nfs/dbraw/zinc/19/42/26/847194226.db2.gz	KEGCRBWGOSSVSW-WJDWOHSUSA-N	0	0	419.300	4.012	50	10		HICARN
COc1cccc(/C=C2/C(=O)N(c3ccc(I)cc3)N=C2C)c1	ZINC000100867200	852659953	/nfs/dbraw/zinc/65/99/53/852659953.db2.gz	BKNNSAQLLGFDDX-GZTJUZNOSA-N	0	0	418.234	4.106	50	10		HICARN
Oc1c(F)cccc1CN1CCCC[C@@H]1c1nc(CCOc2ccc(F)cc2)no1	ZINC000169786273	853664505	/nfs/dbraw/zinc/66/45/05/853664505.db2.gz	BBGAQNAUNRUSAV-LJQANCHMSA-N	0	0	415.440	4.402	50	10		HICARN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1	ZINC000002789385	132257956	/nfs/dbraw/zinc/25/79/56/132257956.db2.gz	VJIHFVPHGNLVEN-UHFFFAOYSA-N	0	0	417.465	4.136	50	10		HICARN
O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCc2ccccc21	ZINC000005094302	132300745	/nfs/dbraw/zinc/30/07/45/132300745.db2.gz	ZTJISNLRZXMPAX-GHRIWEEISA-N	0	0	414.577	4.319	50	10		HICARN
C[C@H]1C[C@H](C)CN(c2cc(N3CCOCC3)c3c4c2noc4-c2ccccc2C3=O)C1	ZINC000006737871	132314043	/nfs/dbraw/zinc/31/40/43/132314043.db2.gz	MKRZOMSWVXZDTQ-HOTGVXAUSA-N	0	0	417.509	4.358	50	10		HICARN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(c1ccccc1)c1ccccc1	ZINC000009945605	132344353	/nfs/dbraw/zinc/34/43/53/132344353.db2.gz	BTZXYERGABNQKD-UHFFFAOYSA-N	0	0	400.522	4.314	50	10		HICARN
C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000010907869	132346844	/nfs/dbraw/zinc/34/68/44/132346844.db2.gz	ACFDEUXYSYYIOW-INIZCTEOSA-N	0	0	404.963	4.316	50	10		HICARN
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O	ZINC000012763994	132366786	/nfs/dbraw/zinc/36/67/86/132366786.db2.gz	ABBAUDWZSIIHNW-OAQYLSRUSA-N	0	0	405.542	4.227	50	10		HICARN
CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C)N2CCN(c3ccccc3)CC2)cc1	ZINC000022665101	132475372	/nfs/dbraw/zinc/47/53/72/132475372.db2.gz	DSZORGOOEGFPFJ-XMMPIXPASA-N	0	0	422.617	4.168	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3cccn3CCCOc3cc(C)cc(C)c3)C(=N)N2O1	ZINC000032969694	520854602	/nfs/dbraw/zinc/85/46/02/520854602.db2.gz	REBNYWRFOJYAHR-OMSSWJLUSA-N	0	0	404.470	4.024	50	10		HICARN
COc1cc(/C=C2\c3ccccc3C(=O)N(c3cccc(C)c3)C2=O)cc(O)c1O	ZINC000032665196	521977001	/nfs/dbraw/zinc/97/70/01/521977001.db2.gz	URJJJSNYZCERHU-YBFXNURJSA-N	0	0	401.418	4.142	50	10		HICARN
COc1ccc(C2(NCCc3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1	ZINC000020178129	523870897	/nfs/dbraw/zinc/87/08/97/523870897.db2.gz	VXOHCOFSQRIYLZ-UHFFFAOYSA-N	0	0	405.881	4.455	50	10		HICARN
COc1ccc2c3ccc(OCC(=O)N(C)c4ccccc4)c(C)c3oc(=O)c2c1	ZINC000001129180	525618484	/nfs/dbraw/zinc/61/84/84/525618484.db2.gz	KKPFQGGFROOVDR-UHFFFAOYSA-N	0	0	403.434	4.305	50	10		HICARN
O=C(COc1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1	ZINC000041091637	526963017	/nfs/dbraw/zinc/96/30/17/526963017.db2.gz	URZVQVUNSVTYID-UHFFFAOYSA-N	0	0	409.364	4.231	50	10		HICARN
CCOc1ccccc1/C=C1/SC(N2CCN(c3ccccc3C)CC2)=NC1=O	ZINC000001471563	535486435	/nfs/dbraw/zinc/48/64/35/535486435.db2.gz	GBKFTTMLCBKVCH-LTGZKZEYSA-N	0	0	407.539	4.186	50	10		HICARN
COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)CC2)cc1	ZINC000002695479	536687677	/nfs/dbraw/zinc/68/76/77/536687677.db2.gz	WLRVVSHKNDLORG-KRWDZBQOSA-N	0	0	402.922	4.082	50	10		HICARN
COc1ccc(N2CCN(C(=S)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)CC2)cc1	ZINC000004687491	536692558	/nfs/dbraw/zinc/69/25/58/536692558.db2.gz	QCZBETCYIVEVIA-QZGUCNERSA-N	0	0	413.631	4.297	50	10		HICARN
CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(OC(C)C)c(OC)c3)C2=O)cc1	ZINC000000693218	557061582	/nfs/dbraw/zinc/06/15/82/557061582.db2.gz	QSRXIAUUOZZGBJ-DEDYPNTBSA-N	0	0	422.481	4.465	50	10		HICARN
Cc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)NC2CCCCC2)cc1	ZINC000000825087	557093775	/nfs/dbraw/zinc/09/37/75/557093775.db2.gz	BQFOZULAAGKTAA-HAVVHWLPSA-N	0	0	405.542	4.281	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1Br	ZINC000001154901	557213142	/nfs/dbraw/zinc/21/31/42/557213142.db2.gz	UMDZLXDNOPGPSJ-NVNXTCNLSA-N	0	0	421.341	4.254	50	10		HICARN
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1O	ZINC000001181293	557231094	/nfs/dbraw/zinc/23/10/94/557231094.db2.gz	GTBWGOCQJYWCDQ-WJDWOHSUSA-N	0	0	418.927	4.276	50	10		HICARN
O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccccc2Br)C1=O	ZINC000002286922	557334412	/nfs/dbraw/zinc/33/44/12/557334412.db2.gz	GXDLBDVKSQECOD-YPKPFQOOSA-N	0	0	417.309	4.177	50	10		HICARN
COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3NC(C)(C)C2=S)S1	ZINC000003880380	557502366	/nfs/dbraw/zinc/50/23/66/557502366.db2.gz	LKCHFBAGXNICFT-UHFFFAOYSA-N	0	0	421.565	4.275	50	10		HICARN
COC(=O)C1=C(C(=O)OC)SC(=C2c3cccc(C)c3NC(C)(C)C2=S)S1	ZINC000003880370	557502456	/nfs/dbraw/zinc/50/24/56/557502456.db2.gz	QVHBLBSAXALJBB-UHFFFAOYSA-N	0	0	421.565	4.275	50	10		HICARN
COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(O)c(OC)c3)SC2=S)cc1	ZINC000004724844	557587081	/nfs/dbraw/zinc/58/70/81/557587081.db2.gz	IFTOGVLQTHCIQC-OQLLNIDSSA-N	0	0	407.900	4.469	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OC	ZINC000002702092	557742695	/nfs/dbraw/zinc/74/26/95/557742695.db2.gz	UXJZHQMTYYEZBN-WQRHYEAKSA-N	0	0	414.508	4.068	50	10		HICARN
Cc1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c(C)n1-c1ccc(C)cc1	ZINC000012324564	558382923	/nfs/dbraw/zinc/38/29/23/558382923.db2.gz	UTPIRRBZRBQMPQ-HXUWFJFHSA-N	0	0	413.525	4.465	50	10		HICARN
CC1=NN(c2nc(-c3ccccc3O)cs2)C(=O)/C1=C\c1ccc(N(C)C)cc1	ZINC000012403868	558397493	/nfs/dbraw/zinc/39/74/93/558397493.db2.gz	MOUHPFFFDMMMDW-PDGQHHTCSA-N	0	0	404.495	4.388	50	10		HICARN
Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1-c1cccnc1	ZINC000012445309	558413502	/nfs/dbraw/zinc/41/35/02/558413502.db2.gz	ABPKAULRVBQTGX-GRSHGNNSSA-N	0	0	406.536	4.286	50	10		HICARN
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	ZINC000013644122	558556247	/nfs/dbraw/zinc/55/62/47/558556247.db2.gz	FLGVENUJQQTHGE-ZHZULCJRSA-N	0	0	414.377	4.338	50	10		HICARN
O=C1NC(=S)N(C2CCCCC2)C(=O)C1=Cc1cc2c3c(c1)CCCN3CCC2	ZINC000013778010	558592919	/nfs/dbraw/zinc/59/29/19/558592919.db2.gz	ANUFOJGBRTYYGA-RGEXLXHISA-N	0	0	409.555	4.185	50	10		HICARN
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1	ZINC000014009191	558612844	/nfs/dbraw/zinc/61/28/44/558612844.db2.gz	UUFBQXFMPCDWNK-ZHZULCJRSA-N	0	0	405.450	4.049	50	10		HICARN
CN1C(=O)/C(=C\c2nc(-c3ccc(Cl)cc3)nn2-c2ccccc2)SC1=S	ZINC000027562391	558675074	/nfs/dbraw/zinc/67/50/74/558675074.db2.gz	AVCCHPDWKJEKJC-RVDMUPIBSA-N	0	0	412.927	4.419	50	10		HICARN
COc1ccc(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c(OC)c1	ZINC000046306169	558810289	/nfs/dbraw/zinc/81/02/89/558810289.db2.gz	ITIWTKVOWXQQHX-UHFFFAOYSA-N	0	0	408.454	4.135	50	10		HICARN
CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)CC1	ZINC000004599337	558835081	/nfs/dbraw/zinc/83/50/81/558835081.db2.gz	KUSIJTJIUWGTOP-OQLLNIDSSA-N	0	0	413.326	4.239	50	10		HICARN
COC(=O)/C=C/c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1	ZINC000058381617	558923193	/nfs/dbraw/zinc/92/31/93/558923193.db2.gz	GPDWVCUJXTVNFK-OPUMOTSWSA-N	0	0	424.453	4.284	50	10		HICARN
CN1CCCc2cc(CNC(=O)Nc3cc4c(cc3Cl)OCCCO4)ccc21	ZINC000058616320	558928960	/nfs/dbraw/zinc/92/89/60/558928960.db2.gz	QMVMRVXNQOUJRD-UHFFFAOYSA-N	0	0	401.894	4.205	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)cc3)C(=N)N2O1	ZINC000005013568	559228213	/nfs/dbraw/zinc/22/82/13/559228213.db2.gz	QCGIHXPLMRGZLY-RFWMZAAKSA-N	0	0	417.465	4.212	50	10		HICARN
N=C1/C(=C\c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC=NN21	ZINC000005028573	559229933	/nfs/dbraw/zinc/22/99/33/559229933.db2.gz	CEBWBOQXRPLARJ-KBIAZUBKSA-N	0	0	402.888	4.474	50	10		HICARN
CCSC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=N)S1	ZINC000005179597	559289238	/nfs/dbraw/zinc/28/92/38/559289238.db2.gz	OVBXXYVSNRPUFX-SUIAZJLOSA-N	0	0	409.540	4.424	50	10		HICARN
COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c1C	ZINC000005489865	560597973	/nfs/dbraw/zinc/59/79/73/560597973.db2.gz	AATZKQKYKUZYJX-BTWTVLLVSA-N	0	0	407.499	4.050	50	10		HICARN
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	ZINC000017201739	560704693	/nfs/dbraw/zinc/70/46/93/560704693.db2.gz	CSYNWTYIMZLKLF-ZHZULCJRSA-N	0	0	414.377	4.338	50	10		HICARN
Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1ccc(Br)cc1	ZINC000001065680	568766549	/nfs/dbraw/zinc/76/65/49/568766549.db2.gz	XFXZFODLFFKDGN-UHFFFAOYSA-N	0	0	404.260	4.076	50	10		HICARN
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1cccs1	ZINC000001147445	568773926	/nfs/dbraw/zinc/77/39/26/568773926.db2.gz	DUIKPBQEZBNRKN-XNTDXEJSSA-N	0	0	405.522	4.197	50	10		HICARN
CC(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1	ZINC000028262106	568783727	/nfs/dbraw/zinc/78/37/27/568783727.db2.gz	ZIDCHDUYLARUKH-UHFFFAOYSA-N	0	0	405.454	4.076	50	10		HICARN
Cc1cc2c(N)c(C(=O)OC3CCN(C(=O)Nc4ccccc4)CC3)sc2nc1C	ZINC000215748368	568797465	/nfs/dbraw/zinc/79/74/65/568797465.db2.gz	BTQPMMGXGZGYPR-UHFFFAOYSA-N	0	0	424.526	4.349	50	10		HICARN
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1	ZINC000001170997	568821197	/nfs/dbraw/zinc/82/11/97/568821197.db2.gz	GPMJTCCXJXBXKT-UNOMPAQXSA-N	0	0	407.466	4.401	50	10		HICARN
COc1cccc2c1O[C@@H](c1ccc3c(c1)OCO3)N1N=C(c3ccccc3O)C[C@@H]21	ZINC000227486570	568855394	/nfs/dbraw/zinc/85/53/94/568855394.db2.gz	XBAYKEZMRSUJSL-UUOWRZLLSA-N	0	0	416.433	4.372	50	10		HICARN
Cc1cc(C(=O)COC(=O)Cn2cnc3ccccc32)c(C)n1-c1ccc(F)cc1	ZINC000003305855	568877435	/nfs/dbraw/zinc/87/74/35/568877435.db2.gz	FTXKRFZXLRRUPU-UHFFFAOYSA-N	0	0	405.429	4.009	50	10		HICARN
Cc1cc(C(=O)COC(=O)Cn2cnc3ccccc32)c(C)n1-c1ccc(C)cc1	ZINC000003305899	568877443	/nfs/dbraw/zinc/87/74/43/568877443.db2.gz	UBLPKILTQBXEQW-UHFFFAOYSA-N	0	0	401.466	4.178	50	10		HICARN
N=C1/C(=C\c2ccc3c(c2)OCO3)C(=O)N=C2SC(CCC3CCCCC3)=NN21	ZINC000006322585	569043095	/nfs/dbraw/zinc/04/30/95/569043095.db2.gz	RNYFPIDMDYQKDU-FZFSNDCFSA-N	0	0	410.499	4.395	50	10		HICARN
CN(C)c1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1	ZINC000035560098	569044937	/nfs/dbraw/zinc/04/49/37/569044937.db2.gz	ARFVERLPDLUPKQ-UHFFFAOYSA-N	0	0	402.473	4.220	50	10		HICARN
CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)CC)C(=O)C1CCC1	ZINC000006711482	569096660	/nfs/dbraw/zinc/09/66/60/569096660.db2.gz	VEFIHNMAWIIDJU-QGZVFWFLSA-N	0	0	424.607	4.189	50	10		HICARN
O=c1oc2c(ccc([O-])c2C[NH2+]C2CCN(Cc3ccccc3)CC2)c2c1CCCC2	ZINC000006759484	569112996	/nfs/dbraw/zinc/11/29/96/569112996.db2.gz	YFHFINGOEOJUJF-UHFFFAOYSA-N	0	0	418.537	4.132	50	10		HICARN
Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1-c1ccc2c(c1)CCC2	ZINC000007226269	569229613	/nfs/dbraw/zinc/22/96/13/569229613.db2.gz	ZYZPDSQGAZSFGT-UHFFFAOYSA-N	0	0	403.507	4.237	50	10		HICARN
O=S(=O)(c1ccc(NCc2ccc(N3CCSCC3)cc2)cc1)C(F)(F)F	ZINC000065475970	569231486	/nfs/dbraw/zinc/23/14/86/569231486.db2.gz	IHSRTZSCWKVPMW-UHFFFAOYSA-N	0	0	416.490	4.145	50	10		HICARN
CCC(=O)N1CSC[C@H]1C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21	ZINC000089941742	569269229	/nfs/dbraw/zinc/26/92/29/569269229.db2.gz	WUDLVHHSAMZGLM-WMZHIEFXSA-N	0	0	420.534	4.063	50	10		HICARN
CC(C)N1C(=O)/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S	ZINC000002201705	569295547	/nfs/dbraw/zinc/29/55/47/569295547.db2.gz	YZGHNAUULMFSJB-VBKFSLOCSA-N	0	0	423.519	4.096	50	10		HICARN
Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccccc1	ZINC000027549462	569372541	/nfs/dbraw/zinc/37/25/41/569372541.db2.gz	YOJJQUIOAWOYEC-IAMGCYTJSA-N	0	0	417.416	4.276	50	10		HICARN
CC(=O)Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)c(OC(C)=O)c1	ZINC000013403551	569413452	/nfs/dbraw/zinc/41/34/52/569413452.db2.gz	QTIJADYEPIZHLR-DRSNIGMVSA-N	0	0	408.410	4.272	50	10		HICARN
Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1-c1ccccc1F	ZINC000008658608	571099497	/nfs/dbraw/zinc/09/94/97/571099497.db2.gz	BLODPRFDEFANCB-UHFFFAOYSA-N	0	0	411.477	4.061	50	10		HICARN
Cn1cc(/C=C2\C(=O)N(CN3CCOCC3)c3cc(Cl)ccc32)c2ccccc21	ZINC000008993424	571207929	/nfs/dbraw/zinc/20/79/29/571207929.db2.gz	SMCWYUVUBDTANO-NDENLUEZSA-N	0	0	407.901	4.009	50	10		HICARN
COc1cccc2c1O[C@@H](c1ccc3c(c1)OCO3)N1N=C(c3ccccc3O)C[C@H]21	ZINC000010215867	571297157	/nfs/dbraw/zinc/29/71/57/571297157.db2.gz	XBAYKEZMRSUJSL-KOSHJBKYSA-N	0	0	416.433	4.372	50	10		HICARN
Cc1cccc(NC2=NC(=O)C(=Cc3ccc(OCc4nccn4C)cc3)S2)c1	ZINC000097147278	852585893	/nfs/dbraw/zinc/58/58/93/852585893.db2.gz	NZATXFKHSMMVIR-UYRXBGFRSA-N	0	0	404.495	4.390	50	10		HICARN
Cc1cc(C(=O)COC(=O)C=Cc2cnc3ccccc3n2)c(C)n1-c1ccccc1	ZINC000104880028	852680237	/nfs/dbraw/zinc/68/02/37/852680237.db2.gz	GOZVQZMEXIVMJT-SEYXRHQNSA-N	0	0	411.461	4.477	50	10		HICARN
Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](c3noc(-c4ccncc4)n3)C2)cc1	ZINC000169773270	853661053	/nfs/dbraw/zinc/66/10/53/853661053.db2.gz	GVEVMSQAZGMOIS-FQEVSTJZSA-N	0	0	413.481	4.169	50	10		HICARN
CCOc1ccc2[nH]c3c(ncnc3N3CCN(c4ccc(OC)cc4)[C@H](C)C3)c2c1	ZINC000002338315	132252841	/nfs/dbraw/zinc/25/28/41/132252841.db2.gz	VFEHZFXPRYEGCD-MRXNPFEDSA-N	0	0	417.513	4.234	50	10		HICARN
CC(=O)OCCNc1cc(N2CCC[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000004961921	132297083	/nfs/dbraw/zinc/29/70/83/132297083.db2.gz	QWBXUMVLRGOHCJ-CQSZACIVSA-N	0	0	419.481	4.251	50	10		HICARN
CC(C)CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=N)S1	ZINC000032964416	519631862	/nfs/dbraw/zinc/63/18/62/519631862.db2.gz	CDYJFUKGHBPYRL-PHMXDFFTSA-N	0	0	422.470	4.051	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=N)S1	ZINC000020238675	519849540	/nfs/dbraw/zinc/84/95/40/519849540.db2.gz	ZZDAQYBCJIHIPJ-WJNHLLBISA-N	0	0	409.427	4.192	50	10		HICARN
CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N=C4SC(C)=CN4C3=N)o2)c1	ZINC000031983039	521533431	/nfs/dbraw/zinc/53/34/31/521533431.db2.gz	WPETUALCYNZEOQ-OXMFYWCOSA-N	0	0	407.451	4.290	50	10		HICARN
Cc1ccc2c(c1)/C(=C\c1nc3ccccc3c(=O)n1Cc1ccccc1)C(=O)N2C	ZINC000032626897	526137694	/nfs/dbraw/zinc/13/76/94/526137694.db2.gz	UJCCEYNLGNYXID-RCCKNPSSSA-N	0	0	407.473	4.270	50	10		HICARN
CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S	ZINC000004739145	535425106	/nfs/dbraw/zinc/42/51/06/535425106.db2.gz	BDGIFPMWIMTBLK-GZTJUZNOSA-N	0	0	409.898	4.385	50	10		HICARN
CCN1C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)NC1=S	ZINC000009088410	535425229	/nfs/dbraw/zinc/42/52/29/535425229.db2.gz	WAUOYODSDAKRMM-XMHGGMMESA-N	0	0	405.523	4.126	50	10		HICARN
CCNc1cc(N2CCC[C@@H](C(=O)OCC)C2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000006737979	535520886	/nfs/dbraw/zinc/52/08/86/535520886.db2.gz	UFYITHKDCWCWQY-CQSZACIVSA-N	0	0	419.481	4.251	50	10		HICARN
COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N3CCOCC3)cc2)cc1	ZINC000007883852	536666490	/nfs/dbraw/zinc/66/64/90/536666490.db2.gz	GVCBNHFHVPJNRU-XMMPIXPASA-N	0	0	415.493	4.303	50	10		HICARN
COc1ccc(N2CCN(C(=O)CSCc3c(F)cccc3Cl)CC2)cc1	ZINC000002877014	536683231	/nfs/dbraw/zinc/68/32/31/536683231.db2.gz	ILJLLRUXYPMELV-UHFFFAOYSA-N	0	0	408.926	4.070	50	10		HICARN
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1Cc1ccccc1	ZINC000000686531	557058583	/nfs/dbraw/zinc/05/85/83/557058583.db2.gz	TVVLRQLZIKQIOI-LPYMAVHISA-N	0	0	403.457	4.385	50	10		HICARN
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1cccc(F)c1	ZINC000001161167	557218166	/nfs/dbraw/zinc/21/81/66/557218166.db2.gz	VHBZRISVKUBQPQ-SRZZPIQSSA-N	0	0	407.420	4.465	50	10		HICARN
Cc1ccc(C2=NC(=O)/C(=C3/c4cc(Br)ccc4N(C)C3=O)S2)cc1	ZINC000001191047	557236180	/nfs/dbraw/zinc/23/61/80/557236180.db2.gz	NLIAMDVYDMIRQZ-FOCLMDBBSA-N	0	0	413.296	4.165	50	10		HICARN
O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1C[C@H]1CCCO1	ZINC000001220060	557248152	/nfs/dbraw/zinc/24/81/52/557248152.db2.gz	UXRUPTHZIWQYIV-ZXMBATIKSA-N	0	0	416.480	4.235	50	10		HICARN
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O	ZINC000001245674	557251065	/nfs/dbraw/zinc/25/10/65/557251065.db2.gz	MOCLSCNPEPISKE-ZDLGFXPLSA-N	0	0	401.509	4.427	50	10		HICARN
CN1C(=O)/C(=C2\c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)SC1=S	ZINC000002672176	557366686	/nfs/dbraw/zinc/36/66/86/557366686.db2.gz	KKBBZEQSCHYNIJ-NXVVXOECSA-N	0	0	400.912	4.088	50	10		HICARN
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccccc1F	ZINC000003652885	557496931	/nfs/dbraw/zinc/49/69/31/557496931.db2.gz	DFDIRCWKMXDWGR-UDWIEESQSA-N	0	0	407.420	4.465	50	10		HICARN
CCOc1cccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1O	ZINC000004477837	557557511	/nfs/dbraw/zinc/55/75/11/557557511.db2.gz	HBCWYJUKKDNMRB-GDNBJRDFSA-N	0	0	402.453	4.105	50	10		HICARN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1	ZINC000004688376	557581427	/nfs/dbraw/zinc/58/14/27/557581427.db2.gz	RAROCEKSQDURHO-ZZLIIEFLSA-N	0	0	421.522	4.292	50	10		HICARN
CCOc1cc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)ccc1O	ZINC000009188770	557826406	/nfs/dbraw/zinc/82/64/06/557826406.db2.gz	QRCDPXRSXMJPSU-AQTBWJFISA-N	0	0	401.509	4.071	50	10		HICARN
COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O	ZINC000009310305	557836101	/nfs/dbraw/zinc/83/61/01/557836101.db2.gz	ILWBFDDIZXMXOI-RIYZIHGNSA-N	0	0	422.871	4.368	50	10		HICARN
O=C1/C(=C\c2cc3c(cc2Cl)OCO3)SC(=S)N1c1cccc([N+](=O)[O-])c1	ZINC000009310299	557836123	/nfs/dbraw/zinc/83/61/23/557836123.db2.gz	FJSJYPBTCVBNQC-PJQLUOCWSA-N	0	0	420.855	4.383	50	10		HICARN
COc1cc(OC)c(C(=O)Nc2cccc(N3Cc4ccccc4C3)c2)cc1OC	ZINC000012418191	558402839	/nfs/dbraw/zinc/40/28/39/558402839.db2.gz	MIZUGMJXCMDSIR-UHFFFAOYSA-N	0	0	404.466	4.485	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OC	ZINC000013688376	558571020	/nfs/dbraw/zinc/57/10/20/558571020.db2.gz	HNLYHZQGWRXLEL-YBEGLDIGSA-N	0	0	405.472	4.257	50	10		HICARN
Cc1cccc(NC(=O)c2ccc3c(c2SCCO)C(=O)c2ccccc2C3=O)c1	ZINC000004451970	558588196	/nfs/dbraw/zinc/58/81/96/558588196.db2.gz	LTZJRDZFFHQVQA-UHFFFAOYSA-N	0	0	417.486	4.107	50	10		HICARN
CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)NCc3ccco3)C2=O)cc1	ZINC000027020267	558668424	/nfs/dbraw/zinc/66/84/24/558668424.db2.gz	IHYFFUPNCRLFRE-PDGQHHTCSA-N	0	0	414.552	4.311	50	10		HICARN
Cc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccccn3)cc(=O)c2c1	ZINC000028288350	558695351	/nfs/dbraw/zinc/69/53/51/558695351.db2.gz	ZAWLABVJNIAOJZ-UHFFFAOYSA-N	0	0	413.477	4.409	50	10		HICARN
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1O	ZINC000015010844	558700326	/nfs/dbraw/zinc/70/03/26/558700326.db2.gz	AOLKMPJVAWETMW-WQRHYEAKSA-N	0	0	401.509	4.201	50	10		HICARN
CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)cc1OCC	ZINC000015930251	558762591	/nfs/dbraw/zinc/76/25/91/558762591.db2.gz	FQBCNSRQLGNRHW-DEDYPNTBSA-N	0	0	422.481	4.142	50	10		HICARN
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(O)cc1	ZINC000016156381	558774098	/nfs/dbraw/zinc/77/40/98/558774098.db2.gz	YQFNXKRLNNVNPQ-DFBITEFZSA-N	0	0	410.520	4.178	50	10		HICARN
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O	ZINC000016156527	558774100	/nfs/dbraw/zinc/77/41/00/558774100.db2.gz	RIRLBQUFEFVYPS-DHDCSXOGSA-N	0	0	407.900	4.469	50	10		HICARN
COc1ccc2c3ccc(OCC(=O)N4C[C@H](C)C[C@H](C)C4)c(C)c3oc(=O)c2c1	ZINC000016293475	558784455	/nfs/dbraw/zinc/78/44/55/558784455.db2.gz	WSXCDHZVCHLOTO-GASCZTMLSA-N	0	0	409.482	4.147	50	10		HICARN
CCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O	ZINC000039708026	558822546	/nfs/dbraw/zinc/82/25/46/558822546.db2.gz	ZMWXCFUGRBATKA-LJQANCHMSA-N	0	0	400.862	4.227	50	10		HICARN
CCOC(=O)CCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C(C)(C)C)C2	ZINC000022337260	558987919	/nfs/dbraw/zinc/98/79/19/558987919.db2.gz	KYJHZYOMLNLRGC-ZDUSSCGKSA-N	0	0	409.548	4.358	50	10		HICARN
CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)CC(C)C)cc1	ZINC000004732556	559033248	/nfs/dbraw/zinc/03/32/48/559033248.db2.gz	KGPIFDBINHGTRO-UHFFFAOYSA-N	0	0	406.534	4.485	50	10		HICARN
N=C1/C(=C\c2ccc(Br)o2)C(=O)N=C2SC=C(c3ccc(F)cc3)N21	ZINC000033333389	559063215	/nfs/dbraw/zinc/06/32/15/559063215.db2.gz	GYUKBQISRBTAQA-XYPMFZOPSA-N	0	0	418.247	4.485	50	10		HICARN
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCSCc1[nH]cnc1C	ZINC000100423343	559135014	/nfs/dbraw/zinc/13/50/14/559135014.db2.gz	NTYMROCDOSFHBU-HKWRFOASSA-N	0	0	415.538	4.157	50	10		HICARN
Cc1cc(=O)oc2cc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc12	ZINC000050055275	559178476	/nfs/dbraw/zinc/17/84/76/559178476.db2.gz	FWFFAVYQPFUDPB-GOSISDBHSA-N	0	0	408.454	4.020	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4C)cc3)C(=N)N2O1	ZINC000005013752	559228233	/nfs/dbraw/zinc/22/82/33/559228233.db2.gz	SMUMCUOYHRFTKF-LJVHWXJXSA-N	0	0	417.465	4.293	50	10		HICARN
CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1	ZINC000012558357	560884518	/nfs/dbraw/zinc/88/45/18/560884518.db2.gz	CWRIWFGJBTTZSH-WQRHYEAKSA-N	0	0	407.271	4.191	50	10		HICARN
CCOC(=O)c1c(C)c(C(C)=O)sc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000044827031	560897370	/nfs/dbraw/zinc/89/73/70/560897370.db2.gz	HTLBXHBCPAKNTG-WJDWOHSUSA-N	0	0	411.483	4.154	50	10		HICARN
O=C(C1=CN(c2ccc(Cl)cc2)c2ccccc2S1(=O)=O)N1CCCCC1	ZINC000048988490	568444061	/nfs/dbraw/zinc/44/40/61/568444061.db2.gz	ZHAGCNVAIRDNBT-UHFFFAOYSA-N	0	0	402.903	4.119	50	10		HICARN
CCc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1	ZINC000049003842	568446513	/nfs/dbraw/zinc/44/65/13/568446513.db2.gz	PFVUOXKOSDINNG-UHFFFAOYSA-N	0	0	416.930	4.292	50	10		HICARN
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4O)[C@]3(C)C2=O)cc1	ZINC000006721177	568457983	/nfs/dbraw/zinc/45/79/83/568457983.db2.gz	YGVZHYKKKOYDPE-HWBMXIPRSA-N	0	0	414.461	4.142	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(O)c(OC)c2)c1	ZINC000006721784	568458010	/nfs/dbraw/zinc/45/80/10/568458010.db2.gz	OSQAFIRXZLACFF-NTKDMRAZSA-N	0	0	418.449	4.357	50	10		HICARN
COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(Br)c1O	ZINC000007165593	568473319	/nfs/dbraw/zinc/47/33/19/568473319.db2.gz	MXXQZITZIJVNRH-ZROIWOOFSA-N	0	0	405.273	4.246	50	10		HICARN
O=c1c(-c2ccc3c(c2)OCCO3)coc2c1ccc([O-])c2C[NH+]1CCCCCC1	ZINC000019938605	568585904	/nfs/dbraw/zinc/58/59/04/568585904.db2.gz	KJPOYNHCKIWCPL-UHFFFAOYSA-N	0	0	407.466	4.313	50	10		HICARN
C[C@H]1CCC[N@H+](Cc2c([O-])ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc32)C1	ZINC000019938607	568586022	/nfs/dbraw/zinc/58/60/22/568586022.db2.gz	OWAOHIRVBHJHCD-HNNXBMFYSA-N	0	0	407.466	4.169	50	10		HICARN
CCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4cc(C)ccc4OC)c3C)C2=N)S1	ZINC000080346805	568602892	/nfs/dbraw/zinc/60/28/92/568602892.db2.gz	OKOMJXZZXFDCAA-LFSVSOHWSA-N	0	0	421.526	4.440	50	10		HICARN
O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000001090980	568632075	/nfs/dbraw/zinc/63/20/75/568632075.db2.gz	HSEINUAAQBBEGI-XGICHPGQSA-N	0	0	416.183	4.067	50	10		HICARN
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1	ZINC000000882752	568737918	/nfs/dbraw/zinc/73/79/18/568737918.db2.gz	ADLKNTFKSUFVKI-UHFFFAOYSA-N	0	0	420.450	4.325	50	10		HICARN
CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CC(=O)OC13CCCCC3)CCCCC2	ZINC000001097631	568769691	/nfs/dbraw/zinc/76/96/91/568769691.db2.gz	OYPJVRNSQJPEPE-OAHLLOKOSA-N	0	0	419.543	4.398	50	10		HICARN
COc1ccccc1/C=C/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000001159745	568775163	/nfs/dbraw/zinc/77/51/63/568775163.db2.gz	MUCPORRWOGPTCX-LKIKGXGASA-N	0	0	411.504	4.382	50	10		HICARN
c1ccc2c(c1)cccc2[C@@H]1C=C(c2ccc(N3CCOCC3)cc2)N=C2N=NNN21	ZINC000012525006	568842701	/nfs/dbraw/zinc/84/27/01/568842701.db2.gz	VZBDANHWCGXTNY-QHCPKHFHSA-N	0	0	410.481	4.316	50	10		HICARN
COc1ccc(N2CC[C@@H](CNC(=S)Nc3ccc(OC)c(Cl)c3)C2)cc1	ZINC000003051039	568850965	/nfs/dbraw/zinc/85/09/65/568850965.db2.gz	BFQHVCDYMPUMMM-AWEZNQCLSA-N	0	0	405.951	4.170	50	10		HICARN
O=C(COC(=O)C1=C(Cl)CCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000012698146	568916816	/nfs/dbraw/zinc/91/68/16/568916816.db2.gz	FYMQZWPXZQQBOP-UHFFFAOYSA-N	0	0	423.852	4.011	50	10		HICARN
CCc1cccc2c(/C=C3\c4ccccc4N(C)C3=O)cn(CC(=O)N3CCCC3)c21	ZINC000003646687	568922249	/nfs/dbraw/zinc/92/22/49/568922249.db2.gz	IMOGYYHFHQCVOU-PXLXIMEGSA-N	0	0	413.521	4.343	50	10		HICARN
O=C(OCCOc1ccccc1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	ZINC000006113473	569004999	/nfs/dbraw/zinc/00/49/99/569004999.db2.gz	ALFRXVUJYVCEKO-UHFFFAOYSA-N	0	0	406.821	4.351	50	10		HICARN
Cc1ccc(Cl)cc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1	ZINC000035507649	569040961	/nfs/dbraw/zinc/04/09/61/569040961.db2.gz	LOIDGAMTWUIDOV-HXUWFJFHSA-N	0	0	422.920	4.234	50	10		HICARN
CCOc1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	ZINC000006578778	569066975	/nfs/dbraw/zinc/06/69/75/569066975.db2.gz	HBSXBVCMBPNTJW-UHFFFAOYSA-N	0	0	421.449	4.261	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(O)cc2)c1	ZINC000006721802	569099333	/nfs/dbraw/zinc/09/93/33/569099333.db2.gz	XCKZNQNVQYNNDU-HYBUGGRVSA-N	0	0	418.449	4.357	50	10		HICARN
Cc1cc(C(=O)C(=O)Nc2nnc(-c3cccnc3)s2)c(C)n1-c1ccc(C)cc1	ZINC000006781068	569120426	/nfs/dbraw/zinc/12/04/26/569120426.db2.gz	GPKMMOADPLZRNC-UHFFFAOYSA-N	0	0	417.494	4.137	50	10		HICARN
CCc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1	ZINC000065096230	569176640	/nfs/dbraw/zinc/17/66/40/569176640.db2.gz	NLZMVJXCLGUMPD-UHFFFAOYSA-N	0	0	410.539	4.274	50	10		HICARN
CC[NH+](CC)Cc1cc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c(C)c1[O-]	ZINC000002124956	569286099	/nfs/dbraw/zinc/28/60/99/569286099.db2.gz	VVVHLBNPNCUKNK-UHFFFAOYSA-N	0	0	405.450	4.422	50	10	biogenic	HICARN
CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F	ZINC000027520527	569327950	/nfs/dbraw/zinc/32/79/50/569327950.db2.gz	BLPOZHPZJJISRZ-PTNGSMBKSA-N	0	0	405.332	4.394	50	10		HICARN
C[C@H](C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)n1cnc2ccccc21	ZINC000040088943	571158838	/nfs/dbraw/zinc/15/88/38/571158838.db2.gz	BTYFOTRFRACKPK-GOSISDBHSA-N	0	0	402.498	4.485	50	10		HICARN
CN(C)c1ccc(CNC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1	ZINC000040135590	571188562	/nfs/dbraw/zinc/18/85/62/571188562.db2.gz	XBZRFPQHIJOWFG-UHFFFAOYSA-N	0	0	409.509	4.056	50	10		HICARN
CC(=O)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N21	ZINC000008964918	571190964	/nfs/dbraw/zinc/19/09/64/571190964.db2.gz	HXOUATPSUHLRGG-SGNDLWITSA-N	0	0	420.468	4.104	50	10		HICARN
COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(O)c2)c1	ZINC000245311639	571224271	/nfs/dbraw/zinc/22/42/71/571224271.db2.gz	PJQUIGXNAARJKH-DVECYGJZSA-N	0	0	418.449	4.357	50	10		HICARN
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1	ZINC000069452985	571228274	/nfs/dbraw/zinc/22/82/74/571228274.db2.gz	DWIMMJWIKKMHDP-UHFFFAOYSA-N	0	0	408.546	4.045	50	10		HICARN
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000009141532	571230152	/nfs/dbraw/zinc/23/01/52/571230152.db2.gz	BEXUEHQLTIPEPI-UHFFFAOYSA-N	0	0	417.289	4.410	50	10		HICARN
O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)OCc1cccc(F)c1	ZINC000008728832	845548248	/nfs/dbraw/zinc/54/82/48/845548248.db2.gz	AWZITHYAPBPKGR-BOPFTXTBSA-N	0	0	419.474	4.300	50	10		HICARN
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)s1	ZINC000025436015	846976559	/nfs/dbraw/zinc/97/65/59/846976559.db2.gz	NZNGRCGIRYFJDE-ATVHPVEESA-N	0	0	421.444	4.410	50	10		HICARN
O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCN(c2ccccc2O)CC1	ZINC000096904456	852556899	/nfs/dbraw/zinc/55/68/99/852556899.db2.gz	LSIUKPUFAVWYRX-KAMYIIQDSA-N	0	0	405.542	4.135	50	10		HICARN
O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(Cl)cc1	ZINC000001441463	132246148	/nfs/dbraw/zinc/24/61/48/132246148.db2.gz	VQUMQHYSBZREKA-AQTBWJFISA-N	0	0	401.894	4.272	50	10		HICARN
CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCN(c2ccccc2)CC1	ZINC000002275041	132251230	/nfs/dbraw/zinc/25/12/30/132251230.db2.gz	ZMNPUMRIHOCUQE-OCOZRVBESA-N	0	0	407.474	4.174	50	10		HICARN
O=c1oc2c(cc(Cl)c3c2CN(c2ccc4c(c2)OCO4)CO3)c2c1CCCC2	ZINC000002336550	132252836	/nfs/dbraw/zinc/25/28/36/132252836.db2.gz	YEZHZLMSBLZLJA-UHFFFAOYSA-N	0	0	411.841	4.410	50	10		HICARN
COc1ccc(N2CCN(c3ccc(C4SCCS4)cc3[N+](=O)[O-])CC2)cc1	ZINC000005687538	132307433	/nfs/dbraw/zinc/30/74/33/132307433.db2.gz	ZFOZOQCCIOUOCZ-UHFFFAOYSA-N	0	0	417.556	4.409	50	10		HICARN
O=C1c2ccccc2-c2onc3c2c1c(NCc1ccccc1)cc3N1CCOCC1	ZINC000006737981	132314146	/nfs/dbraw/zinc/31/41/46/132314146.db2.gz	HZGXIDPGQAQCFV-UHFFFAOYSA-N	0	0	411.461	4.488	50	10		HICARN
O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)cc2)N1CCc1ccccc1	ZINC000007884614	132326080	/nfs/dbraw/zinc/32/60/80/132326080.db2.gz	WJBCCADVHGGLIO-VWLOTQADSA-N	0	0	413.521	4.332	50	10		HICARN
COc1ccc(N2CCN(C(=O)c3cc(-c4ccncc4)nc4ccccc43)CC2)cc1	ZINC000031819262	132499204	/nfs/dbraw/zinc/49/92/04/132499204.db2.gz	LHPCMLSXMYDMLP-UHFFFAOYSA-N	0	0	424.504	4.268	50	10		HICARN
Cc1c2cc(Cl)c([O-])c(C[NH2+]C[C@H]3CCCO3)c2oc(=O)c1Cc1ccccc1	ZINC000020573414	525951940	/nfs/dbraw/zinc/95/19/40/525951940.db2.gz	IXDKAKGDHBBXQS-MRXNPFEDSA-N	0	0	413.901	4.320	50	10		HICARN
COc1ccc([C@@H](NC(=O)C(C)C)c2cc(Cl)c3cccnc3c2O)cc1OC	ZINC000000801095	557085240	/nfs/dbraw/zinc/08/52/40/557085240.db2.gz	MDXIDWIREKGPHO-LJQANCHMSA-N	0	0	414.889	4.473	50	10		HICARN
CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1	ZINC000001135450	557200813	/nfs/dbraw/zinc/20/08/13/557200813.db2.gz	SJYJDCVOZZCPNC-LICLKQGHSA-N	0	0	417.483	4.173	50	10		HICARN
CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)c1C	ZINC000001149863	557210387	/nfs/dbraw/zinc/21/03/87/557210387.db2.gz	HDUHMSRZXODTBD-UHFFFAOYSA-N	0	0	423.582	4.344	50	10		HICARN
CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)C1=O	ZINC000001154759	557213183	/nfs/dbraw/zinc/21/31/83/557213183.db2.gz	FBUHBJAAGUXCCN-XDHOZWIPSA-N	0	0	412.511	4.256	50	10		HICARN
CN(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1	ZINC000001190639	557236164	/nfs/dbraw/zinc/23/61/64/557236164.db2.gz	CGRQAVCJITVZQN-UHFFFAOYSA-N	0	0	406.467	4.281	50	10		HICARN
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C)c2)C1=O	ZINC000001191090	557236394	/nfs/dbraw/zinc/23/63/94/557236394.db2.gz	KIEWBSUSWAJYMD-AQTBWJFISA-N	0	0	412.536	4.234	50	10		HICARN
COc1ccccc1OCCCOc1cccc(C=C2SC(=S)NC2=O)c1	ZINC000002874229	557416209	/nfs/dbraw/zinc/41/62/09/557416209.db2.gz	NIDIEKWNZBXACS-QGOAFFKASA-N	0	0	401.509	4.032	50	10		HICARN
COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC	ZINC000008658295	557799068	/nfs/dbraw/zinc/79/90/68/557799068.db2.gz	BBXKUTGYPYZEHR-UXBLZVDNSA-N	0	0	412.314	4.205	50	10		HICARN
COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)CC(C)C)CC2)cc1	ZINC000097546849	557824340	/nfs/dbraw/zinc/82/43/40/557824340.db2.gz	IBIGRZXDNZGNKD-FDDCHVKYSA-N	0	0	415.603	4.171	50	10		HICARN
O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1C[C@@H]1CCCO1	ZINC000019893487	558303483	/nfs/dbraw/zinc/30/34/83/558303483.db2.gz	UXRUPTHZIWQYIV-HAKPAVFJSA-N	0	0	416.480	4.235	50	10		HICARN
Cc1cc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c(C)n1-c1ccc(C)cc1	ZINC000012324565	558382917	/nfs/dbraw/zinc/38/29/17/558382917.db2.gz	UTPIRRBZRBQMPQ-FQEVSTJZSA-N	0	0	413.525	4.465	50	10		HICARN
COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)OC(C)C)C2=O)ccc1O	ZINC000013739140	558589088	/nfs/dbraw/zinc/58/90/88/558589088.db2.gz	GYMNLFZOZYIHQC-SFQUDFHCSA-N	0	0	423.556	4.114	50	10		HICARN
COc1ccccc1/C=C1/C(=N)N2C(SCc3ccccc3)=NSC2=NC1=O	ZINC000013750208	558589403	/nfs/dbraw/zinc/58/94/03/558589403.db2.gz	MECFVHBRLWYGHX-WSYITQDSSA-N	0	0	408.508	4.205	50	10		HICARN
CCOc1cc(/C=C2\C(=O)N(CCC3=CCCCC3)C(C)=C2C(=O)OC)ccc1O	ZINC000014009498	558613122	/nfs/dbraw/zinc/61/31/22/558613122.db2.gz	ISQXIBPKHNCPEK-RGEXLXHISA-N	0	0	411.498	4.354	50	10		HICARN
Cc1cccc(C)c1N1CC(=O)N(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)C1=O	ZINC000015413520	558738682	/nfs/dbraw/zinc/73/86/82/558738682.db2.gz	ICBPPFZDTITDQH-VWLOTQADSA-N	0	0	413.521	4.491	50	10		HICARN
COc1ccccc1OCCCOc1ccccc1/C=C1/SC(=S)N(C)C1=O	ZINC000015857329	558757181	/nfs/dbraw/zinc/75/71/81/558757181.db2.gz	LNKNTVABWPPFMC-XMHGGMMESA-N	0	0	415.536	4.374	50	10		HICARN
COc1ccc(/C=C2\SC(=S)N(CCC(=O)OC3CCCCC3)C2=O)cc1	ZINC000016769973	558806418	/nfs/dbraw/zinc/80/64/18/558806418.db2.gz	IWLGBUKTRXMIEH-LGMDPLHJSA-N	0	0	405.541	4.162	50	10		HICARN
CCOc1ccc(/C=C2/C(C)=NN(c3ccc(C(=O)OC(C)C)cc3)C2=O)cc1OC	ZINC000017150102	558824208	/nfs/dbraw/zinc/82/42/08/558824208.db2.gz	MXBNOHSCMINPEX-MOSHPQCFSA-N	0	0	422.481	4.465	50	10		HICARN
Cc1nn2c(ncc(C(=O)NCc3ccc(N(C)C)cc3)c2C)c1-c1ccc(F)cc1	ZINC000021914295	558971274	/nfs/dbraw/zinc/97/12/74/558971274.db2.gz	NLSWWZMSAUWSGL-UHFFFAOYSA-N	0	0	417.488	4.148	50	10		HICARN
COc1ccc(-n2c(C)cc(C(=O)N(C)C[C@H]3COc4ccccc4O3)c2C)cc1	ZINC000023184160	559030748	/nfs/dbraw/zinc/03/07/48/559030748.db2.gz	QOZCICDYWOIPTI-FQEVSTJZSA-N	0	0	406.482	4.015	50	10		HICARN
CCN(CC)c1ccc(/C=C2\C(=O)N=C3SN=C(SCC(C)C)N3C2=N)cc1	ZINC000004761592	559053423	/nfs/dbraw/zinc/05/34/23/559053423.db2.gz	OVEQDOZVHZMGQF-XGMUFTHNSA-N	0	0	415.588	4.499	50	10		HICARN
COc1cc2c(cc1NCC(=O)Nc1ccc(C(=O)N(C)C)cc1)oc1ccccc12	ZINC000011619350	559115483	/nfs/dbraw/zinc/11/54/83/559115483.db2.gz	MZEFMSQNKYSXEB-UHFFFAOYSA-N	0	0	417.465	4.347	50	10		HICARN
Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCCc1ccc(N)cc1	ZINC000023313048	559115611	/nfs/dbraw/zinc/11/56/11/559115611.db2.gz	CIUKDCCNADNSIQ-UHFFFAOYSA-N	0	0	405.376	4.103	50	10		HICARN
COc1ccc(-n2c(C)cc(C(=O)COc3ccc(-c4nnco4)cc3)c2C)cc1	ZINC000004895396	559198973	/nfs/dbraw/zinc/19/89/73/559198973.db2.gz	VYMJHYQLXZCJSJ-UHFFFAOYSA-N	0	0	403.438	4.414	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4C)cc3)C(=N)N2O1	ZINC000005013572	559228245	/nfs/dbraw/zinc/22/82/45/559228245.db2.gz	SUOBHCGNQJNSHI-VASVRFFCSA-N	0	0	417.465	4.212	50	10		HICARN
CN(C)c1ccc([C@H](CNC(=O)c2cccc(Br)c2)[NH+]2CCCC2)cc1	ZINC000005098020	559245212	/nfs/dbraw/zinc/24/52/12/559245212.db2.gz	JQHGYBHXLPJRLC-FQEVSTJZSA-N	0	0	416.363	4.082	50	10		HICARN
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1	ZINC000003312074	560592124	/nfs/dbraw/zinc/59/21/24/560592124.db2.gz	QSCVPSNRNARFDB-QGZVFWFLSA-N	0	0	419.481	4.237	50	10		HICARN
Cc1cc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccc(C(C)C)cc1	ZINC000048342786	568440663	/nfs/dbraw/zinc/44/06/63/568440663.db2.gz	GRBCRNSNLVKNBB-UHFFFAOYSA-N	0	0	407.558	4.348	50	10		HICARN
CCc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1	ZINC000049003900	568446589	/nfs/dbraw/zinc/44/65/89/568446589.db2.gz	XLULWKAXNZPGEY-UHFFFAOYSA-N	0	0	414.502	4.167	50	10		HICARN
CC(=O)N1CCC2(CC1)N=C(c1ccc(F)cc1)C[C@@H](c1cc(Cl)ccc1O)N2	ZINC000049421435	568450587	/nfs/dbraw/zinc/45/05/87/568450587.db2.gz	UTXWFEWUZPTXJN-FQEVSTJZSA-N	0	0	415.896	4.047	50	10		HICARN
CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccc(C)c4)c(Cl)c3)C(=N)N2O1	ZINC000020236715	568595760	/nfs/dbraw/zinc/59/57/60/568595760.db2.gz	KHCWSGDVBNGGNC-MEOLDJOHSA-N	0	0	421.840	4.318	50	10		HICARN
CC[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S	ZINC000001183376	568822129	/nfs/dbraw/zinc/82/21/29/568822129.db2.gz	LQWHBOYPKXABON-SKQHNDAPSA-N	0	0	402.585	4.377	50	10		HICARN
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2c[nH]c3ccccc23)cc1	ZINC000012553654	568854691	/nfs/dbraw/zinc/85/46/91/568854691.db2.gz	BLBVRJTXGLZQID-QFIPXVFZSA-N	0	0	405.542	4.374	50	10		HICARN
Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1ccc(OC(F)F)cc1	ZINC000003283126	568872040	/nfs/dbraw/zinc/87/20/40/568872040.db2.gz	OXTAFVIKBGUASS-UHFFFAOYSA-N	0	0	404.438	4.304	50	10		HICARN
CCc1cc2c(=O)c(-c3cc4c(cc3C)OCCO4)c(C)oc2c(C[NH+](C)C)c1[O-]	ZINC000004027289	568878310	/nfs/dbraw/zinc/87/83/10/568878310.db2.gz	QUZIQEYEYJOHLY-UHFFFAOYSA-N	0	0	409.482	4.178	50	10	biogenic	HICARN
COc1ccccc1N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S	ZINC000001240281	568907557	/nfs/dbraw/zinc/90/75/57/568907557.db2.gz	IWDQJKNHCGVEFI-BOPFTXTBSA-N	0	0	417.508	4.127	50	10		HICARN
CCc1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)c1	ZINC000263617150	568911361	/nfs/dbraw/zinc/91/13/61/568911361.db2.gz	MHAXOQYNBMIXHJ-UHFFFAOYSA-N	0	0	414.502	4.167	50	10		HICARN
COc1ccccc1[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2O)N1	ZINC000053363278	569027581	/nfs/dbraw/zinc/02/75/81/569027581.db2.gz	MCGSBSXAMIYDJG-CYFREDJKSA-N	0	0	402.450	4.352	50	10		HICARN
N=C1/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N=C2SC(CCC3CCCCC3)=NN21	ZINC000006251545	569035320	/nfs/dbraw/zinc/03/53/20/569035320.db2.gz	NZUZOMJWTOENJU-BBDQWHKDSA-N	0	0	401.448	4.167	50	10		HICARN
CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@H]3C2=O)cc1	ZINC000245311354	569055691	/nfs/dbraw/zinc/05/56/91/569055691.db2.gz	NVMAYDQLCQMJDL-DNVJHFABSA-N	0	0	414.461	4.006	50	10		HICARN
Cc1ccccc1NC(=O)CCN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O	ZINC000016666460	569066982	/nfs/dbraw/zinc/06/69/82/569066982.db2.gz	NLIDRNSOAPAVJU-RGEXLXHISA-N	0	0	409.511	4.126	50	10		HICARN
Cc1ccc(C(=O)N/C(=C\c2ccc(N(C)C)cc2)C(=O)N2CCC(C)CC2)cc1	ZINC000027024824	569070976	/nfs/dbraw/zinc/07/09/76/569070976.db2.gz	YGPDGRGWOMKALB-QJOMJCCJSA-N	0	0	405.542	4.090	50	10		HICARN
COc1cc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4O)=NN32)ccc1O	ZINC000006721736	569099303	/nfs/dbraw/zinc/09/93/03/569099303.db2.gz	NEOSSCDJYFVEOF-KOSHJBKYSA-N	0	0	418.449	4.357	50	10		HICARN
COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)c2ccccc2S1(=O)=O	ZINC000064979147	569140765	/nfs/dbraw/zinc/14/07/65/569140765.db2.gz	ZXIWDMCDZSOPJV-UHFFFAOYSA-N	0	0	407.447	4.419	50	10		HICARN
Cc1cc(C(=O)COC(=O)c2ccc(C)c(C)c2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000006830929	569147291	/nfs/dbraw/zinc/14/72/91/569147291.db2.gz	DOJHRULRKGSVSJ-UHFFFAOYSA-N	0	0	405.450	4.479	50	10		HICARN
COc1cc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc(OC)c1OC	ZINC000006901847	569177885	/nfs/dbraw/zinc/17/78/85/569177885.db2.gz	MMLLTJVKHXBQGR-UHFFFAOYSA-N	0	0	403.434	4.099	50	10		HICARN
CCC[C@@H](C)NC(=O)COC(=O)c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	ZINC000007141420	569226245	/nfs/dbraw/zinc/22/62/45/569226245.db2.gz	SBSOMELWAGSYQT-CYBMUJFWSA-N	0	0	406.910	4.218	50	10		HICARN
COc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1OC	ZINC000007423287	569237811	/nfs/dbraw/zinc/23/78/11/569237811.db2.gz	ZHOGCJBLDVBOLU-UHFFFAOYSA-N	0	0	417.918	4.489	50	10		HICARN
COc1ccc(C2(Nc3ccc([N+](=O)[O-])cc3C)C(=O)c3ccccc3C2=O)cc1	ZINC000007500003	569242861	/nfs/dbraw/zinc/24/28/61/569242861.db2.gz	QEJLMXLIISHNSD-UHFFFAOYSA-N	0	0	402.406	4.298	50	10		HICARN
O=C(c1ccco1)c1coc2ccc([O-])c(C[NH+]3CCN(c4ccccc4)CC3)c12	ZINC000252494203	569290725	/nfs/dbraw/zinc/29/07/25/569290725.db2.gz	NOGCLDTXQYNZLY-UHFFFAOYSA-N	0	0	402.450	4.285	50	10		HICARN
O=C(OCc1cc(-c2ccccc2)on1)c1cccc2c1C(=O)c1ccccc1C2=O	ZINC000007897834	569318959	/nfs/dbraw/zinc/31/89/59/569318959.db2.gz	NDHGEADJRBQURJ-UHFFFAOYSA-N	0	0	409.397	4.474	50	10		HICARN
COC(=O)CC1CC[NH+](Cc2c3c(C(=O)c4ccsc4)coc3ccc2[O-])CC1	ZINC000252499010	569387768	/nfs/dbraw/zinc/38/77/68/569387768.db2.gz	RTPIHZJLFFFUDZ-UHFFFAOYSA-N	0	0	413.495	4.206	50	10		HICARN
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1	ZINC000008819055	571121277	/nfs/dbraw/zinc/12/12/77/571121277.db2.gz	PQADWJJWEHHEAB-MHWRWJLKSA-N	0	0	418.927	4.189	50	10		HICARN