smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000033458006	526092366	/nfs/dbraw/zinc/09/23/66/526092366.db2.gz	ABIUSKFCSDNRBO-BOPFTXTBSA-N	-1	1	469.523	2.936	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000059498610	569606149	/nfs/dbraw/zinc/60/61/49/569606149.db2.gz	XCUCQBIVFPFUCX-UHFFFAOYSA-N	-1	1	458.408	2.608	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000059536592	569606725	/nfs/dbraw/zinc/60/67/25/569606725.db2.gz	RTXMKNWQMYPKJI-UHFFFAOYSA-N	-1	1	480.951	2.729	40	10		JFCBMM
CC(C)CS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc([O-])c(Br)c3)C2=N)S1	ZINC000041085241	569836999	/nfs/dbraw/zinc/83/69/99/569836999.db2.gz	DLFKHOGOGJUHLI-CJWGJNLSSA-N	-1	1	471.358	2.802	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408797181	570044609	/nfs/dbraw/zinc/04/46/09/570044609.db2.gz	BPGBRLSDGXJDMV-UHFFFAOYSA-N	-1	1	476.239	2.694	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408797181	570044610	/nfs/dbraw/zinc/04/46/10/570044610.db2.gz	BPGBRLSDGXJDMV-UHFFFAOYSA-N	-1	1	476.239	2.694	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc(C)cc1	ZINC000408805299	570047229	/nfs/dbraw/zinc/04/72/29/570047229.db2.gz	FYOYBNSSVWCGFU-UHFFFAOYSA-N	-1	1	492.269	2.937	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc(C)cc1	ZINC000408805299	570047230	/nfs/dbraw/zinc/04/72/30/570047230.db2.gz	FYOYBNSSVWCGFU-UHFFFAOYSA-N	-1	1	492.269	2.937	40	10		JFCBMM
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)cc1	ZINC000408880382	570062669	/nfs/dbraw/zinc/06/26/69/570062669.db2.gz	HOEOQDKGBKHIKW-UHFFFAOYSA-N	-1	1	471.343	2.984	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1Cc1cccc(F)c1	ZINC000408882600	570063338	/nfs/dbraw/zinc/06/33/38/570063338.db2.gz	ROOVRLCCNSAVFG-UHFFFAOYSA-N	-1	1	480.233	2.779	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1Cc1cccc(F)c1	ZINC000408882600	570063340	/nfs/dbraw/zinc/06/33/40/570063340.db2.gz	ROOVRLCCNSAVFG-UHFFFAOYSA-N	-1	1	480.233	2.779	40	10		JFCBMM
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)c1	ZINC000409040283	570107309	/nfs/dbraw/zinc/10/73/09/570107309.db2.gz	GEWUKUCKXCMZCP-UHFFFAOYSA-N	-1	1	474.336	2.689	40	10		JFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1	ZINC000409065633	570116240	/nfs/dbraw/zinc/11/62/40/570116240.db2.gz	IJFQJFWMANDEFE-UHFFFAOYSA-N	-1	1	457.316	2.675	40	10		JFCBMM
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)[O-])c(OC)c3)C2=O)cc1OC	ZINC000409139517	570143899	/nfs/dbraw/zinc/14/38/99/570143899.db2.gz	AQNMMSMVVBJGEI-LICLKQGHSA-N	-1	1	498.488	2.618	40	10		JFCBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)NC2=S)cc1	ZINC000409192957	570162498	/nfs/dbraw/zinc/16/24/98/570162498.db2.gz	HOWQARJWFRBQMO-KPKJPENVSA-N	-1	1	494.266	2.526	40	10		JFCBMM
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409195147	570163388	/nfs/dbraw/zinc/16/33/88/570163388.db2.gz	ROYQGZARIQZYTB-GZTJUZNOSA-N	-1	1	481.530	2.834	40	10		JFCBMM
CCOc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@H](C)C(=O)[O-])C(=O)NC2=S)cc1	ZINC000409238754	570181011	/nfs/dbraw/zinc/18/10/11/570181011.db2.gz	LAQKVSFXTPAXEP-LVLBFHFTSA-N	-1	1	470.503	2.777	40	10		JFCBMM
COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409249782	570185449	/nfs/dbraw/zinc/18/54/49/570185449.db2.gz	LLRINQJXJWOFAB-DSQDWWTGSA-N	-1	1	454.504	2.995	40	10		JFCBMM
COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409249785	570185460	/nfs/dbraw/zinc/18/54/60/570185460.db2.gz	LLRINQJXJWOFAB-LUYJPIOASA-N	-1	1	454.504	2.995	40	10		JFCBMM
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)c(Br)c1[O-]	ZINC000059140094	195393108	/nfs/dbraw/zinc/39/31/08/195393108.db2.gz	XVEPEVXWEQYDTB-UHFFFAOYSA-N	-1	1	478.162	2.915	40	10		JFCBMM
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1O[C@@H](C)C(=O)[O-]	ZINC000035087653	569674631	/nfs/dbraw/zinc/67/46/31/569674631.db2.gz	AOINDPNCVPWASS-KSSSLANASA-N	-1	1	461.268	2.771	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	ZINC000108126455	569858794	/nfs/dbraw/zinc/85/87/94/569858794.db2.gz	UYKUVYZRZMVYRN-UHFFFAOYSA-N	-1	1	477.901	2.810	40	10		JFCBMM
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000108917298	569859813	/nfs/dbraw/zinc/85/98/13/569859813.db2.gz	YKQAWMOBDAPOJQ-BTAWCLGRSA-N	-1	1	461.268	2.771	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1Cc1ccccc1F	ZINC000408879807	570062502	/nfs/dbraw/zinc/06/25/02/570062502.db2.gz	GVCRQLAXQPLVDK-UHFFFAOYSA-N	-1	1	480.233	2.779	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1Cc1ccccc1F	ZINC000408879807	570062503	/nfs/dbraw/zinc/06/25/03/570062503.db2.gz	GVCRQLAXQPLVDK-UHFFFAOYSA-N	-1	1	480.233	2.779	40	10		JFCBMM
CCN1C(=O)C(=Cc2cc(Br)cc(I)c2[O-])NC1=S	ZINC000409006826	570098277	/nfs/dbraw/zinc/09/82/77/570098277.db2.gz	MAGCMVRFWBWYPE-WTKPLQERSA-N	-1	1	453.099	2.837	40	10		JFCBMM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)C(=O)NC1=S	ZINC000409020815	570102909	/nfs/dbraw/zinc/10/29/09/570102909.db2.gz	UFBPKSYXDCOXPB-KWWJGWKXSA-N	-1	1	454.504	2.941	40	10		JFCBMM
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409020866	570102932	/nfs/dbraw/zinc/10/29/32/570102932.db2.gz	UWXJHRGAOYZXDH-KNGSKEOJSA-N	-1	1	454.504	2.995	40	10		JFCBMM
O=C1[N-]C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C(=O)N1	ZINC000409069889	570117836	/nfs/dbraw/zinc/11/78/36/570117836.db2.gz	YHNYDSVBZPDHHY-UHFFFAOYSA-N	-1	1	485.699	2.620	40	10		JFCBMM
O=C1[N-]C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C(=O)N1	ZINC000409069889	570117837	/nfs/dbraw/zinc/11/78/37/570117837.db2.gz	YHNYDSVBZPDHHY-UHFFFAOYSA-N	-1	1	485.699	2.620	40	10		JFCBMM
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)[O-])cc3)C2=O)cc1OCC	ZINC000409191399	570162148	/nfs/dbraw/zinc/16/21/48/570162148.db2.gz	GMNDLXDINGZGGM-XDHOZWIPSA-N	-1	1	482.489	3.000	40	10		JFCBMM
COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1OC	ZINC000409193418	570162799	/nfs/dbraw/zinc/16/27/99/570162799.db2.gz	KIKAGJHFUGLXEM-RIYZIHGNSA-N	-1	1	491.319	2.996	40	10		JFCBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	ZINC000409221768	570174771	/nfs/dbraw/zinc/17/47/71/570174771.db2.gz	ATTFXGCRFOVCHC-UHFFFAOYSA-N	-1	1	457.870	2.814	40	10		JFCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	ZINC000409221768	570174772	/nfs/dbraw/zinc/17/47/72/570174772.db2.gz	ATTFXGCRFOVCHC-UHFFFAOYSA-N	-1	1	457.870	2.814	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1cccc(C)c1C	ZINC000409255317	570186826	/nfs/dbraw/zinc/18/68/26/570186826.db2.gz	HGIFCOJECHXJJY-UHFFFAOYSA-N	-1	1	453.520	2.634	40	10		JFCBMM
Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000409260439	570187543	/nfs/dbraw/zinc/18/75/43/570187543.db2.gz	QHVHBYKHBBXRMO-UHFFFAOYSA-N	-1	1	458.268	2.524	40	10		JFCBMM
Cc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000409260439	570187544	/nfs/dbraw/zinc/18/75/44/570187544.db2.gz	QHVHBYKHBBXRMO-UHFFFAOYSA-N	-1	1	458.268	2.524	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000408554002	570196090	/nfs/dbraw/zinc/19/60/90/570196090.db2.gz	XZLLHYBXRJCASV-UHFFFAOYSA-N	-1	1	480.329	2.934	40	10		JFCBMM
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/N1C(=S)[N-]C(=O)/C1=C\c1cccc([N+](=O)[O-])c1	ZINC000017223313	556242903	/nfs/dbraw/zinc/24/29/03/556242903.db2.gz	RVHMCUNGZACILR-ZONYTPJBSA-N	-1	1	491.485	2.502	40	10		JFCBMM
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1O[C@H](C)C(=O)[O-]	ZINC000035087657	569674648	/nfs/dbraw/zinc/67/46/48/569674648.db2.gz	AOINDPNCVPWASS-ZEVOCZHWSA-N	-1	1	461.268	2.771	40	10		JFCBMM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000104204068	569843017	/nfs/dbraw/zinc/84/30/17/569843017.db2.gz	YWVNIDGLQZUIQQ-SVPNMLMASA-N	-1	1	492.521	2.800	40	10		JFCBMM
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000104214146	569843270	/nfs/dbraw/zinc/84/32/70/569843270.db2.gz	JEXHFNSTXRONEH-HNQMNILESA-N	-1	1	492.521	2.800	40	10		JFCBMM
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000408695448	570017821	/nfs/dbraw/zinc/01/78/21/570017821.db2.gz	VEQULBFEIIJICI-NTUHNPAUSA-N	-1	1	481.299	2.716	40	10		JFCBMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O	ZINC000408741464	570032324	/nfs/dbraw/zinc/03/23/24/570032324.db2.gz	MDHSBYSFTBTDPA-PCJMVEANSA-N	-1	1	467.279	2.997	40	10		JFCBMM
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1cccc(I)c1	ZINC000408912236	570073383	/nfs/dbraw/zinc/07/33/83/570073383.db2.gz	QBVCGFQAIGLDKV-OVCLIPMQSA-N	-1	1	465.316	2.955	40	10		JFCBMM
CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)C(=O)[N-]C1=S	ZINC000408914303	570074569	/nfs/dbraw/zinc/07/45/69/570074569.db2.gz	PDWDIKWMTZYHDH-NTEUORMPSA-N	-1	1	474.336	2.723	40	10		JFCBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	ZINC000409049521	570109457	/nfs/dbraw/zinc/10/94/57/570109457.db2.gz	WBISSPFXRXDWJH-UHFFFAOYSA-N	-1	1	457.870	2.814	40	10		JFCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	ZINC000409049521	570109458	/nfs/dbraw/zinc/10/94/58/570109458.db2.gz	WBISSPFXRXDWJH-UHFFFAOYSA-N	-1	1	457.870	2.814	40	10		JFCBMM
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br	ZINC000409191695	570162072	/nfs/dbraw/zinc/16/20/72/570162072.db2.gz	KXFNSMAUMDRMCH-MDWZMJQESA-N	-1	1	461.293	2.987	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	ZINC000409227931	570176480	/nfs/dbraw/zinc/17/64/80/570176480.db2.gz	XPXDCZYJDCESEJ-UHFFFAOYSA-N	-1	1	459.911	2.589	40	10		JFCBMM
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409231799	570178011	/nfs/dbraw/zinc/17/80/11/570178011.db2.gz	KUMLLGYKRIYNTQ-DSQDWWTGSA-N	-1	1	454.504	2.995	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	ZINC000409258520	570187188	/nfs/dbraw/zinc/18/71/88/570187188.db2.gz	VHQSNQAPUAPTCK-UHFFFAOYSA-N	-1	1	453.520	2.634	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)cc1C	ZINC000409259926	570187358	/nfs/dbraw/zinc/18/73/58/570187358.db2.gz	HWBXDJMDWYKIKB-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)cc1C	ZINC000409259926	570187360	/nfs/dbraw/zinc/18/73/60/570187360.db2.gz	HWBXDJMDWYKIKB-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000016688277	520629781	/nfs/dbraw/zinc/62/97/81/520629781.db2.gz	CQKUJUDVAYQWFM-ZSOIEALJSA-N	-1	1	455.379	2.992	40	10		JFCBMM
COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000009259657	521944956	/nfs/dbraw/zinc/94/49/56/521944956.db2.gz	ZIJCGLYHSJRLDU-QPEQYQDCSA-N	-1	1	481.299	2.716	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OC(=O)c1ccc(OC)cc1	ZINC000002807420	554357419	/nfs/dbraw/zinc/35/74/19/554357419.db2.gz	UVUBNAIVKXNLAW-UHFFFAOYSA-N	-1	1	460.895	2.881	40	10		JFCBMM
C[C@@H](Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)C(=O)[O-]	ZINC000033560368	569627801	/nfs/dbraw/zinc/62/78/01/569627801.db2.gz	WBRIHAKBWZMOEJ-RLIURORJSA-N	-1	1	478.242	2.605	40	10		JFCBMM
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000104214138	569843275	/nfs/dbraw/zinc/84/32/75/569843275.db2.gz	JEXHFNSTXRONEH-MWFTZXFNSA-N	-1	1	492.521	2.800	40	10		JFCBMM
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1	ZINC000408891962	570065925	/nfs/dbraw/zinc/06/59/25/570065925.db2.gz	WKLOIIXWRBSRMD-UHFFFAOYSA-N	-1	1	455.275	2.819	40	10		JFCBMM
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1	ZINC000408891962	570065927	/nfs/dbraw/zinc/06/59/27/570065927.db2.gz	WKLOIIXWRBSRMD-UHFFFAOYSA-N	-1	1	455.275	2.819	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	ZINC000409042703	570107885	/nfs/dbraw/zinc/10/78/85/570107885.db2.gz	CGZLMKFDDXYLSU-UHFFFAOYSA-N	-1	1	459.911	2.589	40	10		JFCBMM
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O	ZINC000409194612	570163085	/nfs/dbraw/zinc/16/30/85/570163085.db2.gz	PSOOYCPEICAXHS-WUXMJOGZSA-N	-1	1	477.292	2.693	40	10		JFCBMM
O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O)Nc1ccc(Cl)cc1	ZINC000409217910	570173325	/nfs/dbraw/zinc/17/33/25/570173325.db2.gz	FRXQFAOSLOKIAJ-UHFFFAOYSA-N	-1	1	478.686	2.869	40	10		JFCBMM
O=C(COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O)Nc1ccc(Cl)cc1	ZINC000409217910	570173326	/nfs/dbraw/zinc/17/33/26/570173326.db2.gz	FRXQFAOSLOKIAJ-UHFFFAOYSA-N	-1	1	478.686	2.869	40	10		JFCBMM
CCOc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@@H](C)C(=O)[O-])C(=O)NC2=S)cc1	ZINC000409238757	570181028	/nfs/dbraw/zinc/18/10/28/570181028.db2.gz	LAQKVSFXTPAXEP-VLURKWGBSA-N	-1	1	470.503	2.777	40	10		JFCBMM
CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@H](C)C(=O)[O-])C(=O)NC2=S)cc1	ZINC000409242818	570182702	/nfs/dbraw/zinc/18/27/02/570182702.db2.gz	PEXPIIOZBMAFOZ-LVLBFHFTSA-N	-1	1	454.504	2.941	40	10		JFCBMM
Cc1cccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)c1C	ZINC000409263362	570187939	/nfs/dbraw/zinc/18/79/39/570187939.db2.gz	KMPHSFKAGMQIOC-UHFFFAOYSA-N	-1	1	488.363	2.998	40	10		JFCBMM
O=C(COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl)Nc1ccccc1Cl	ZINC000409271812	570189280	/nfs/dbraw/zinc/18/92/80/570189280.db2.gz	NINVXACEMANQTQ-UHFFFAOYSA-N	-1	1	450.303	2.925	40	10		JFCBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000059536325	569606631	/nfs/dbraw/zinc/60/66/31/569606631.db2.gz	DEFDALGSBSZYSQ-UHFFFAOYSA-N	-1	1	464.883	2.564	40	10		JFCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000059536325	569606633	/nfs/dbraw/zinc/60/66/33/569606633.db2.gz	DEFDALGSBSZYSQ-UHFFFAOYSA-N	-1	1	464.883	2.564	40	10		JFCBMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000100194366	569755060	/nfs/dbraw/zinc/75/50/60/569755060.db2.gz	HHSLJRTTWVZYDB-FDIDWWNZSA-N	-1	1	467.279	2.997	40	10		JFCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000408764626	570037721	/nfs/dbraw/zinc/03/77/21/570037721.db2.gz	JQHMFHNANOWZOD-NVNXTCNLSA-N	-1	1	452.491	2.860	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1Cc1cccc(F)c1	ZINC000408867326	570058452	/nfs/dbraw/zinc/05/84/52/570058452.db2.gz	KKUJZICDAKONFG-UHFFFAOYSA-N	-1	1	496.301	2.944	40	10		JFCBMM
Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)c1	ZINC000409045662	570108621	/nfs/dbraw/zinc/10/86/21/570108621.db2.gz	GVDGPWSKZJSFOO-UHFFFAOYSA-N	-1	1	458.268	2.524	40	10		JFCBMM
Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)c1	ZINC000409045662	570108623	/nfs/dbraw/zinc/10/86/23/570108623.db2.gz	GVDGPWSKZJSFOO-UHFFFAOYSA-N	-1	1	458.268	2.524	40	10		JFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1	ZINC000409073855	570119294	/nfs/dbraw/zinc/11/92/94/570119294.db2.gz	IYKSNXHOFNJDPL-UHFFFAOYSA-N	-1	1	457.316	2.675	40	10		JFCBMM
COc1ccc(N2CCCCC2)cc1C(=O)N1CCC[C@@H](Cc2n[n-]cc2S(C)(=O)=O)C1	ZINC000257256506	570125034	/nfs/dbraw/zinc/12/50/34/570125034.db2.gz	KLTBLIOGHIRJMH-KRWDZBQOSA-N	-1	1	460.600	2.907	40	10		JFCBMM
COc1ccc(N2CCCCC2)cc1C(=O)N1CCC[C@@H](Cc2[n-]ncc2S(C)(=O)=O)C1	ZINC000257256506	570125035	/nfs/dbraw/zinc/12/50/35/570125035.db2.gz	KLTBLIOGHIRJMH-KRWDZBQOSA-N	-1	1	460.600	2.907	40	10		JFCBMM
COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409190988	570161867	/nfs/dbraw/zinc/16/18/67/570161867.db2.gz	XSBBMWHQHIJODJ-LDADJPATSA-N	-1	1	451.504	2.825	40	10		JFCBMM
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)[O-])c3)C2=O)cc1OCC	ZINC000409196216	570163607	/nfs/dbraw/zinc/16/36/07/570163607.db2.gz	UOPVCKXJZFUZDQ-UNOMPAQXSA-N	-1	1	482.489	3.000	40	10		JFCBMM
O=C(COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl)Nc1ccc(Cl)cc1	ZINC000409218583	570173565	/nfs/dbraw/zinc/17/35/65/570173565.db2.gz	GJKKVVYBZGINHE-UHFFFAOYSA-N	-1	1	450.303	2.925	40	10		JFCBMM
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409228676	570176749	/nfs/dbraw/zinc/17/67/49/570176749.db2.gz	CJVKRXVDWIOCIT-SWEABUAFSA-N	-1	1	454.504	2.995	40	10		JFCBMM
CCc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2O[C@H](C)C(=O)[O-])C(=O)NC1=S	ZINC000409248487	570185090	/nfs/dbraw/zinc/18/50/90/570185090.db2.gz	KRAZPGQJQWNHAK-MLDYKZIASA-N	-1	1	454.504	2.941	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	ZINC000409258589	570187292	/nfs/dbraw/zinc/18/72/92/570187292.db2.gz	YEBUGNZBNRXLGJ-UHFFFAOYSA-N	-1	1	457.870	2.732	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	ZINC000409258589	570187294	/nfs/dbraw/zinc/18/72/94/570187294.db2.gz	YEBUGNZBNRXLGJ-UHFFFAOYSA-N	-1	1	457.870	2.732	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	ZINC000409268035	570188744	/nfs/dbraw/zinc/18/87/44/570188744.db2.gz	YXFUABQVNBNABN-UHFFFAOYSA-N	-1	1	459.911	2.589	40	10		JFCBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	ZINC000409272684	570189424	/nfs/dbraw/zinc/18/94/24/570189424.db2.gz	RPDFTUGZINRBGN-UHFFFAOYSA-N	-1	1	457.870	2.814	40	10		JFCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	ZINC000409272684	570189425	/nfs/dbraw/zinc/18/94/25/570189425.db2.gz	RPDFTUGZINRBGN-UHFFFAOYSA-N	-1	1	457.870	2.814	40	10		JFCBMM
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000104214141	569843238	/nfs/dbraw/zinc/84/32/38/569843238.db2.gz	JEXHFNSTXRONEH-ILIWDHLYSA-N	-1	1	492.521	2.800	40	10		JFCBMM
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000108917291	569859834	/nfs/dbraw/zinc/85/98/34/569859834.db2.gz	YKQAWMOBDAPOJQ-ZRRZQRFHSA-N	-1	1	461.268	2.771	40	10		JFCBMM
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)c1	ZINC000408854053	570056144	/nfs/dbraw/zinc/05/61/44/570056144.db2.gz	WOSHWSNBMKQNFA-RIYZIHGNSA-N	-1	1	471.422	2.773	40	10		JFCBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OC(=O)c1ccccc1	ZINC000408893293	570066486	/nfs/dbraw/zinc/06/64/86/570066486.db2.gz	DPBOOTVEKVALRY-UHFFFAOYSA-N	-1	1	459.252	2.816	40	10		JFCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OC(=O)c1ccccc1	ZINC000408893293	570066488	/nfs/dbraw/zinc/06/64/88/570066488.db2.gz	DPBOOTVEKVALRY-UHFFFAOYSA-N	-1	1	459.252	2.816	40	10		JFCBMM
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409020967	570102897	/nfs/dbraw/zinc/10/28/97/570102897.db2.gz	WICPNEBNMBMXCY-FBJMNJBLSA-N	-1	1	454.504	2.995	40	10		JFCBMM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1OC	ZINC000409210208	570169327	/nfs/dbraw/zinc/16/93/27/570169327.db2.gz	FMOUMVJWVFVPFU-RIYZIHGNSA-N	-1	1	471.422	2.773	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	ZINC000409222591	570175044	/nfs/dbraw/zinc/17/50/44/570175044.db2.gz	CKIXQKTWHWJTQW-UHFFFAOYSA-N	-1	1	480.329	2.934	40	10		JFCBMM
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409228675	570176735	/nfs/dbraw/zinc/17/67/35/570176735.db2.gz	CJVKRXVDWIOCIT-MPMPPSQCSA-N	-1	1	454.504	2.995	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)cc1C	ZINC000409253091	570186377	/nfs/dbraw/zinc/18/63/77/570186377.db2.gz	AOUBYQNSRXMFOO-UHFFFAOYSA-N	-1	1	488.363	2.998	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)c(C)c1	ZINC000409254309	570186691	/nfs/dbraw/zinc/18/66/91/570186691.db2.gz	WXOPQGHBOHJWSX-UHFFFAOYSA-N	-1	1	488.363	2.998	40	10		JFCBMM
O=C(COc1c(Cl)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl)Nc1ccccc1	ZINC000409258791	570187203	/nfs/dbraw/zinc/18/72/03/570187203.db2.gz	VYGKRFFULGJCQB-UHFFFAOYSA-N	-1	1	450.303	2.925	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	ZINC000409260222	570187456	/nfs/dbraw/zinc/18/74/56/570187456.db2.gz	MWPQDVHEKBUJOR-UHFFFAOYSA-N	-1	1	473.938	2.979	40	10		JFCBMM
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)c1	ZINC000409261561	570187666	/nfs/dbraw/zinc/18/76/66/570187666.db2.gz	DADNRMNHXAPKHJ-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)c1	ZINC000409261561	570187668	/nfs/dbraw/zinc/18/76/68/570187668.db2.gz	DADNRMNHXAPKHJ-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
Nc1[nH]c(=S)[n-]c(=O)c1N=Nc1c(Br)cc(S(N)(=O)=O)cc1Br	ZINC000013099280	556299251	/nfs/dbraw/zinc/29/92/51/556299251.db2.gz	UHWWJOWAVGOCRB-ISLYRVAYSA-N	-1	1	484.155	2.602	40	10	in-vitro	JFCBMM
CN(CC(=O)c1ccc([O-])c(O)c1)C(=O)CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S	ZINC000054360667	569590221	/nfs/dbraw/zinc/59/02/21/569590221.db2.gz	XXFOTCCNLVOCLQ-LSCVHKIXSA-N	-1	1	460.508	2.779	40	10		JFCBMM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000104204058	569842938	/nfs/dbraw/zinc/84/29/38/569842938.db2.gz	YWVNIDGLQZUIQQ-MWFTZXFNSA-N	-1	1	492.521	2.800	40	10		JFCBMM
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\N1C(=S)[N-]C(=O)/C1=C\c1cccc([N+](=O)[O-])c1	ZINC000104304016	569845029	/nfs/dbraw/zinc/84/50/29/569845029.db2.gz	RVHMCUNGZACILR-OISIGJEPSA-N	-1	1	491.485	2.502	40	10		JFCBMM
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\N1C(=S)[N-]C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	ZINC000104304010	569845084	/nfs/dbraw/zinc/84/50/84/569845084.db2.gz	RVHMCUNGZACILR-SXYCWNMWSA-N	-1	1	491.485	2.502	40	10		JFCBMM
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408695345	570017777	/nfs/dbraw/zinc/01/77/77/570017777.db2.gz	SAFIJGWZFPAMKH-NTUHNPAUSA-N	-1	1	481.299	2.716	40	10		JFCBMM
O=C1[N-]C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C(=O)N1	ZINC000408887109	570064700	/nfs/dbraw/zinc/06/47/00/570064700.db2.gz	MCMFIJZXPIYFSJ-UHFFFAOYSA-N	-1	1	477.183	2.807	40	10		JFCBMM
O=C1[N-]C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C(=O)N1	ZINC000408887109	570064702	/nfs/dbraw/zinc/06/47/02/570064702.db2.gz	MCMFIJZXPIYFSJ-UHFFFAOYSA-N	-1	1	477.183	2.807	40	10		JFCBMM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)C(=O)NC1=S	ZINC000409020816	570102890	/nfs/dbraw/zinc/10/28/90/570102890.db2.gz	UFBPKSYXDCOXPB-XDUBLRSXSA-N	-1	1	454.504	2.941	40	10		JFCBMM
O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1	ZINC000409072770	570118917	/nfs/dbraw/zinc/11/89/17/570118917.db2.gz	KXMJFCOWUICEPD-UHFFFAOYSA-N	-1	1	485.699	2.620	40	10		JFCBMM
O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1	ZINC000409072770	570118919	/nfs/dbraw/zinc/11/89/19/570118919.db2.gz	KXMJFCOWUICEPD-UHFFFAOYSA-N	-1	1	485.699	2.620	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409083005	570122110	/nfs/dbraw/zinc/12/21/10/570122110.db2.gz	ULXZYEHSSQPMRD-UHFFFAOYSA-N	-1	1	478.826	2.872	40	10		JFCBMM
CCOC(=O)Cn1cc(C=C2C(=O)[N-]C(=S)N(CC)C2=O)c2cc(Br)ccc21	ZINC000409145486	570146590	/nfs/dbraw/zinc/14/65/90/570146590.db2.gz	NWSUZRNMUMBQCB-VGOFMYFVSA-N	-1	1	464.341	2.614	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)cc1	ZINC000409228000	570176453	/nfs/dbraw/zinc/17/64/53/570176453.db2.gz	YZGMEGQCSRGAMM-UHFFFAOYSA-N	-1	1	474.336	2.689	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	ZINC000409248129	570184917	/nfs/dbraw/zinc/18/49/17/570184917.db2.gz	CCTRRRXOSRWHNN-UHFFFAOYSA-N	-1	1	473.938	2.897	40	10		JFCBMM
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	ZINC000409263487	570187908	/nfs/dbraw/zinc/18/79/08/570187908.db2.gz	LGVUZCUFAIMZIA-UHFFFAOYSA-N	-1	1	458.268	2.524	40	10		JFCBMM
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	ZINC000409263487	570187909	/nfs/dbraw/zinc/18/79/09/570187909.db2.gz	LGVUZCUFAIMZIA-UHFFFAOYSA-N	-1	1	458.268	2.524	40	10		JFCBMM
Cc1ccccc1NC(=O)COc1ccc(Br)cc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000409263282	570187985	/nfs/dbraw/zinc/18/79/85/570187985.db2.gz	KHMBPTGWYFTWBF-UHFFFAOYSA-N	-1	1	474.336	2.689	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	ZINC000409267530	570188752	/nfs/dbraw/zinc/18/87/52/570188752.db2.gz	NGUKTFRRCAUKGG-UHFFFAOYSA-N	-1	1	457.870	2.732	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	ZINC000409267530	570188753	/nfs/dbraw/zinc/18/87/53/570188753.db2.gz	NGUKTFRRCAUKGG-UHFFFAOYSA-N	-1	1	457.870	2.732	40	10		JFCBMM
O=C([O-])COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O	ZINC000001105914	194025537	/nfs/dbraw/zinc/02/55/37/194025537.db2.gz	VEQRCFVFBNBFTH-ZROIWOOFSA-N	-1	1	461.293	2.744	40	10		JFCBMM
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000108917287	569859827	/nfs/dbraw/zinc/85/98/27/569859827.db2.gz	YKQAWMOBDAPOJQ-GPILYODUSA-N	-1	1	461.268	2.771	40	10		JFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000408865432	570057903	/nfs/dbraw/zinc/05/79/03/570057903.db2.gz	DHCDRXLTKFBAPK-UHFFFAOYSA-N	-1	1	462.281	2.851	40	10		JFCBMM
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409020968	570102929	/nfs/dbraw/zinc/10/29/29/570102929.db2.gz	WICPNEBNMBMXCY-NGWPFTMJSA-N	-1	1	454.504	2.995	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1	ZINC000409218811	570173674	/nfs/dbraw/zinc/17/36/74/570173674.db2.gz	HGFKWVXNPOUPHD-UHFFFAOYSA-N	-1	1	458.268	2.524	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1	ZINC000409218811	570173675	/nfs/dbraw/zinc/17/36/75/570173675.db2.gz	HGFKWVXNPOUPHD-UHFFFAOYSA-N	-1	1	458.268	2.524	40	10		JFCBMM
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409231801	570178032	/nfs/dbraw/zinc/17/80/32/570178032.db2.gz	KUMLLGYKRIYNTQ-LUYJPIOASA-N	-1	1	454.504	2.995	40	10		JFCBMM
COc1cccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409232652	570178457	/nfs/dbraw/zinc/17/84/57/570178457.db2.gz	AXKBGVOFMGMIGA-SWEABUAFSA-N	-1	1	454.504	2.995	40	10		JFCBMM
CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@@H](C)C(=O)[O-])C(=O)NC2=S)cc1	ZINC000409242820	570182731	/nfs/dbraw/zinc/18/27/31/570182731.db2.gz	PEXPIIOZBMAFOZ-VLURKWGBSA-N	-1	1	454.504	2.941	40	10		JFCBMM
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c1	ZINC000409256085	570186981	/nfs/dbraw/zinc/18/69/81/570186981.db2.gz	JPGOWIUTROQNNW-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c1	ZINC000409256085	570186982	/nfs/dbraw/zinc/18/69/82/570186982.db2.gz	JPGOWIUTROQNNW-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)c1C	ZINC000409262628	570187775	/nfs/dbraw/zinc/18/77/75/570187775.db2.gz	IJEKDXZQDHETIP-UHFFFAOYSA-N	-1	1	488.363	2.998	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	ZINC000409269959	570189148	/nfs/dbraw/zinc/18/91/48/570189148.db2.gz	MPYOVJZGAIBLGV-UHFFFAOYSA-N	-1	1	473.938	2.979	40	10		JFCBMM
O=C(COc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1)Nc1ccc(Cl)c(Cl)c1	ZINC000408551284	570195137	/nfs/dbraw/zinc/19/51/37/570195137.db2.gz	JWMOBTJGQWGLCW-UHFFFAOYSA-N	-1	1	450.303	2.925	40	10		JFCBMM
O=C(COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=S)NC1=O)Nc1ccccc1Cl	ZINC000001105265	553908509	/nfs/dbraw/zinc/90/85/09/553908509.db2.gz	XNEXKWBRDXYIOX-UHFFFAOYSA-N	-1	1	450.303	2.925	40	10		JFCBMM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000104204065	569842908	/nfs/dbraw/zinc/84/29/08/569842908.db2.gz	YWVNIDGLQZUIQQ-HNQMNILESA-N	-1	1	492.521	2.800	40	10		JFCBMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O	ZINC000408741461	570032342	/nfs/dbraw/zinc/03/23/42/570032342.db2.gz	MDHSBYSFTBTDPA-KTZOAPACSA-N	-1	1	467.279	2.997	40	10		JFCBMM
O=C(COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1)Nc1ccc(Cl)c(Cl)c1	ZINC000408753136	570034843	/nfs/dbraw/zinc/03/48/43/570034843.db2.gz	LQZOVNZTLRKJKZ-UHFFFAOYSA-N	-1	1	450.303	2.925	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	ZINC000408912944	570073657	/nfs/dbraw/zinc/07/36/57/570073657.db2.gz	INPXMTWFUMNTGA-RIYZIHGNSA-N	-1	1	459.911	2.623	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	ZINC000408913140	570073871	/nfs/dbraw/zinc/07/38/71/570073871.db2.gz	LCICGIIWEDUCAQ-OVCLIPMQSA-N	-1	1	473.938	2.931	40	10		JFCBMM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])c(OC)c3)C(=O)NC2=S)c1	ZINC000409016690	570101428	/nfs/dbraw/zinc/10/14/28/570101428.db2.gz	VKXOEXJLJINVSW-VZWMTCDZSA-N	-1	1	470.503	2.777	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	ZINC000409044200	570108315	/nfs/dbraw/zinc/10/83/15/570108315.db2.gz	UFMXLZNTFAPMQH-UHFFFAOYSA-N	-1	1	459.911	2.671	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1	ZINC000409054879	570111205	/nfs/dbraw/zinc/11/12/05/570111205.db2.gz	HAIHKYJVHBVMKB-UHFFFAOYSA-N	-1	1	488.294	2.533	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1	ZINC000409054879	570111206	/nfs/dbraw/zinc/11/12/06/570111206.db2.gz	HAIHKYJVHBVMKB-UHFFFAOYSA-N	-1	1	488.294	2.533	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409066066	570116360	/nfs/dbraw/zinc/11/63/60/570116360.db2.gz	AIZXJRYJYPMAJQ-UHFFFAOYSA-N	-1	1	471.274	2.519	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409066066	570116361	/nfs/dbraw/zinc/11/63/61/570116361.db2.gz	AIZXJRYJYPMAJQ-UHFFFAOYSA-N	-1	1	471.274	2.519	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409089488	570124292	/nfs/dbraw/zinc/12/42/92/570124292.db2.gz	MOWBVEHKWRUNEM-UHFFFAOYSA-N	-1	1	462.758	2.707	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409089488	570124293	/nfs/dbraw/zinc/12/42/93/570124293.db2.gz	MOWBVEHKWRUNEM-UHFFFAOYSA-N	-1	1	462.758	2.707	40	10		JFCBMM
CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21	ZINC000409189346	570161401	/nfs/dbraw/zinc/16/14/01/570161401.db2.gz	JQYVUFYHBMXAMD-WOJGMQOQSA-N	-1	1	477.498	2.734	40	10		JFCBMM
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1O	ZINC000409192568	570162417	/nfs/dbraw/zinc/16/24/17/570162417.db2.gz	YTMXRQRQIOYRDN-WUXMJOGZSA-N	-1	1	477.292	2.693	40	10		JFCBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	ZINC000409194709	570163226	/nfs/dbraw/zinc/16/32/26/570163226.db2.gz	QRLOXOLNMBQYGL-UDWIEESQSA-N	-1	1	488.525	2.723	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	ZINC000409256798	570187114	/nfs/dbraw/zinc/18/71/14/570187114.db2.gz	NISUWWVLWPXXKM-UHFFFAOYSA-N	-1	1	464.261	2.769	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	ZINC000409256798	570187116	/nfs/dbraw/zinc/18/71/16/570187116.db2.gz	NISUWWVLWPXXKM-UHFFFAOYSA-N	-1	1	464.261	2.769	40	10		JFCBMM
CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2C=C2C(=O)[N-]C(=S)NC2=O)CC1	ZINC000408719758	570026328	/nfs/dbraw/zinc/02/63/28/570026328.db2.gz	QVTZWSZOABJXGI-UHFFFAOYSA-N	-1	1	471.583	2.982	40	10		JFCBMM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OCC)c(O)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000408857006	570056671	/nfs/dbraw/zinc/05/66/71/570056671.db2.gz	KGIASHZDISKAAP-OQLLNIDSSA-N	-1	1	469.406	2.542	40	10		JFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	ZINC000409069193	570117602	/nfs/dbraw/zinc/11/76/02/570117602.db2.gz	WNQYUUXEWPBYDW-UHFFFAOYSA-N	-1	1	457.316	2.675	40	10		JFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409085778	570123203	/nfs/dbraw/zinc/12/32/03/570123203.db2.gz	DHNNQVPEASCOAR-UHFFFAOYSA-N	-1	1	493.251	2.972	40	10		JFCBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000409190070	570161581	/nfs/dbraw/zinc/16/15/81/570161581.db2.gz	VPEJPGMRTRSUGX-LDADJPATSA-N	-1	1	462.443	2.915	40	10		JFCBMM
COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409191216	570162004	/nfs/dbraw/zinc/16/20/04/570162004.db2.gz	DMRORUOPOOKKQH-NTEUORMPSA-N	-1	1	461.293	2.987	40	10		JFCBMM
COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br	ZINC000409192310	570162359	/nfs/dbraw/zinc/16/23/59/570162359.db2.gz	ARHRCOANXZTUCG-NTUHNPAUSA-N	-1	1	491.319	2.996	40	10		JFCBMM
O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br)Nc1ccc(Cl)cc1	ZINC000409220403	570174020	/nfs/dbraw/zinc/17/40/20/570174020.db2.gz	YUILXBMLGQDQSY-UHFFFAOYSA-N	-1	1	478.686	2.869	40	10		JFCBMM
O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br)Nc1ccc(Cl)cc1	ZINC000409220403	570174021	/nfs/dbraw/zinc/17/40/21/570174021.db2.gz	YUILXBMLGQDQSY-UHFFFAOYSA-N	-1	1	478.686	2.869	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000409223603	570175295	/nfs/dbraw/zinc/17/52/95/570175295.db2.gz	HBHIBBKOLDNNGT-UHFFFAOYSA-N	-1	1	474.336	2.689	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	ZINC000409224630	570175577	/nfs/dbraw/zinc/17/55/77/570175577.db2.gz	LKBKURLJCGOORD-UHFFFAOYSA-N	-1	1	464.261	2.769	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	ZINC000409224630	570175578	/nfs/dbraw/zinc/17/55/78/570175578.db2.gz	LKBKURLJCGOORD-UHFFFAOYSA-N	-1	1	464.261	2.769	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	ZINC000409224486	570175588	/nfs/dbraw/zinc/17/55/88/570175588.db2.gz	LWMYNXJELBYCJE-UHFFFAOYSA-N	-1	1	459.911	2.671	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	ZINC000409224847	570175699	/nfs/dbraw/zinc/17/56/99/570175699.db2.gz	MQQCYHSYAMUEBC-UHFFFAOYSA-N	-1	1	488.294	2.533	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	ZINC000409224847	570175700	/nfs/dbraw/zinc/17/57/00/570175700.db2.gz	MQQCYHSYAMUEBC-UHFFFAOYSA-N	-1	1	488.294	2.533	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	ZINC000409252712	570186183	/nfs/dbraw/zinc/18/61/83/570186183.db2.gz	UYRDAKXSMUIGCX-UHFFFAOYSA-N	-1	1	473.938	2.897	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	ZINC000409254129	570186617	/nfs/dbraw/zinc/18/66/17/570186617.db2.gz	CUTZKSIQAQFVIV-UHFFFAOYSA-N	-1	1	453.520	2.634	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	ZINC000409255951	570186933	/nfs/dbraw/zinc/18/69/33/570186933.db2.gz	MPQJLKDRIPDFOR-UHFFFAOYSA-N	-1	1	457.870	2.732	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	ZINC000409255951	570186935	/nfs/dbraw/zinc/18/69/35/570186935.db2.gz	MPQJLKDRIPDFOR-UHFFFAOYSA-N	-1	1	457.870	2.732	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	ZINC000409257249	570187129	/nfs/dbraw/zinc/18/71/29/570187129.db2.gz	RSEAHASYJHHHMV-UHFFFAOYSA-N	-1	1	459.911	2.589	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	ZINC000409265174	570188176	/nfs/dbraw/zinc/18/81/76/570188176.db2.gz	RCFRZWWGVOWGPF-UHFFFAOYSA-N	-1	1	480.329	2.934	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)c(C)c1	ZINC000409267579	570188740	/nfs/dbraw/zinc/18/87/40/570188740.db2.gz	OEFGEPOAGGFKPE-UHFFFAOYSA-N	-1	1	488.363	2.998	40	10		JFCBMM
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000409272540	570189430	/nfs/dbraw/zinc/18/94/30/570189430.db2.gz	ZRMINAFWTVWULA-UHFFFAOYSA-N	-1	1	488.363	2.998	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC	ZINC000108162028	569858936	/nfs/dbraw/zinc/85/89/36/569858936.db2.gz	JNAMXVZJHSELFF-UHFFFAOYSA-N	-1	1	489.937	2.679	40	10		JFCBMM
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000408899210	570067942	/nfs/dbraw/zinc/06/79/42/570067942.db2.gz	OBHZMENOLCOQIC-UHFFFAOYSA-N	-1	1	452.513	2.830	40	10		JFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccc(I)cc2)cc1	ZINC000408997082	570095557	/nfs/dbraw/zinc/09/55/57/570095557.db2.gz	QUQLFTDGEUAVOO-UHFFFAOYSA-N	-1	1	464.284	2.785	40	10		JFCBMM
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c1	ZINC000409050164	570109699	/nfs/dbraw/zinc/10/96/99/570109699.db2.gz	ZRFWZPVWPWEVAA-UHFFFAOYSA-N	-1	1	458.268	2.524	40	10		JFCBMM
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c1	ZINC000409050164	570109701	/nfs/dbraw/zinc/10/97/01/570109701.db2.gz	ZRFWZPVWPWEVAA-UHFFFAOYSA-N	-1	1	458.268	2.524	40	10		JFCBMM
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)[O-])c3)C2=O)cc1OC	ZINC000409123301	570136705	/nfs/dbraw/zinc/13/67/05/570136705.db2.gz	FXINJZPJKATODJ-WQRHYEAKSA-N	-1	1	468.462	2.609	40	10		JFCBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000409191817	570162239	/nfs/dbraw/zinc/16/22/39/570162239.db2.gz	OAMPJGXVWLCNSC-LDADJPATSA-N	-1	1	462.443	2.915	40	10		JFCBMM
CCc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2O[C@@H](C)C(=O)[O-])C(=O)NC1=S	ZINC000409248484	570185084	/nfs/dbraw/zinc/18/50/84/570185084.db2.gz	KRAZPGQJQWNHAK-HKJJFUAXSA-N	-1	1	454.504	2.941	40	10		JFCBMM
O=C(COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O)Nc1ccccc1Cl	ZINC000409252189	570186061	/nfs/dbraw/zinc/18/60/61/570186061.db2.gz	CNFIQLWVDINSEZ-UHFFFAOYSA-N	-1	1	478.686	2.869	40	10		JFCBMM
O=C(COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O)Nc1ccccc1Cl	ZINC000409252189	570186062	/nfs/dbraw/zinc/18/60/62/570186062.db2.gz	CNFIQLWVDINSEZ-UHFFFAOYSA-N	-1	1	478.686	2.869	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)c(C)c1	ZINC000409253236	570186404	/nfs/dbraw/zinc/18/64/04/570186404.db2.gz	ASXJDHYMNGOXQW-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)c(C)c1	ZINC000409253236	570186406	/nfs/dbraw/zinc/18/64/06/570186406.db2.gz	ASXJDHYMNGOXQW-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OC(=O)c1ccccc1	ZINC000002773171	554338151	/nfs/dbraw/zinc/33/81/51/554338151.db2.gz	PNNPWZJPQJYAQW-UHFFFAOYSA-N	-1	1	461.293	2.591	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OC(=O)c1cccc(Br)c1	ZINC000408721491	570026831	/nfs/dbraw/zinc/02/68/31/570026831.db2.gz	RQXXMXRAGKEPBE-UHFFFAOYSA-N	-1	1	461.293	2.591	40	10		JFCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000408761120	570036880	/nfs/dbraw/zinc/03/68/80/570036880.db2.gz	CAFQRGUXHZQCRU-DHDCSXOGSA-N	-1	1	452.491	2.860	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1cccc(C)c1	ZINC000408816602	570050719	/nfs/dbraw/zinc/05/07/19/570050719.db2.gz	UCIAFCRIPIIASG-UHFFFAOYSA-N	-1	1	492.269	2.937	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1cccc(C)c1	ZINC000408816602	570050720	/nfs/dbraw/zinc/05/07/20/570050720.db2.gz	UCIAFCRIPIIASG-UHFFFAOYSA-N	-1	1	492.269	2.937	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408866826	570058299	/nfs/dbraw/zinc/05/82/99/570058299.db2.gz	ISPDEDHTMCGBNG-UHFFFAOYSA-N	-1	1	492.307	2.859	40	10		JFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	ZINC000408886813	570064758	/nfs/dbraw/zinc/06/47/58/570064758.db2.gz	MKCTUGAJXBEABQ-UHFFFAOYSA-N	-1	1	493.251	2.972	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OC(=O)c1ccccc1	ZINC000408888978	570065213	/nfs/dbraw/zinc/06/52/13/570065213.db2.gz	DDMJYSZPXLJOHV-UHFFFAOYSA-N	-1	1	475.320	2.981	40	10		JFCBMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C)c(I)c1	ZINC000408921279	570077339	/nfs/dbraw/zinc/07/73/39/570077339.db2.gz	MTEHKAIIHMEJNN-UHFFFAOYSA-N	-1	1	465.316	2.921	40	10		JFCBMM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)[O-])c(OC)c3)C(=O)NC2=S)c1	ZINC000409016688	570101315	/nfs/dbraw/zinc/10/13/15/570101315.db2.gz	VKXOEXJLJINVSW-VGSSETLESA-N	-1	1	470.503	2.777	40	10		JFCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409066383	570116523	/nfs/dbraw/zinc/11/65/23/570116523.db2.gz	OLKMZBIEJOCIIZ-UHFFFAOYSA-N	-1	1	457.316	2.675	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	ZINC000409219164	570173876	/nfs/dbraw/zinc/17/38/76/570173876.db2.gz	JWIYZHMVEQGMIP-UHFFFAOYSA-N	-1	1	473.938	2.979	40	10		JFCBMM
COc1cccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409232651	570178424	/nfs/dbraw/zinc/17/84/24/570178424.db2.gz	AXKBGVOFMGMIGA-MPMPPSQCSA-N	-1	1	454.504	2.995	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)cc1C	ZINC000409252649	570186187	/nfs/dbraw/zinc/18/61/87/570186187.db2.gz	UIMZBQSIRUAMCF-UHFFFAOYSA-N	-1	1	488.363	2.998	40	10		JFCBMM
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/N1C(=S)[N-]C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	ZINC000008665198	520544511	/nfs/dbraw/zinc/54/45/11/520544511.db2.gz	RVHMCUNGZACILR-LTSGFECQSA-N	-1	1	491.485	2.502	40	10		JFCBMM
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000100334498	569757753	/nfs/dbraw/zinc/75/77/53/569757753.db2.gz	OKIZSWHCKYRNIB-AJYIMBPMSA-N	-1	1	493.505	2.696	40	10		JFCBMM
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000100334502	569757778	/nfs/dbraw/zinc/75/77/78/569757778.db2.gz	OKIZSWHCKYRNIB-IRCXXISZSA-N	-1	1	493.505	2.696	40	10		JFCBMM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000104204062	569843042	/nfs/dbraw/zinc/84/30/42/569843042.db2.gz	YWVNIDGLQZUIQQ-ILIWDHLYSA-N	-1	1	492.521	2.800	40	10		JFCBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	ZINC000107768696	569857333	/nfs/dbraw/zinc/85/73/33/569857333.db2.gz	BIBJQSRDPUVSQX-UHFFFAOYSA-N	-1	1	461.833	2.645	40	10		JFCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	ZINC000107768696	569857334	/nfs/dbraw/zinc/85/73/34/569857334.db2.gz	BIBJQSRDPUVSQX-UHFFFAOYSA-N	-1	1	461.833	2.645	40	10		JFCBMM
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000108917295	569859829	/nfs/dbraw/zinc/85/98/29/569859829.db2.gz	YKQAWMOBDAPOJQ-PDICVPPASA-N	-1	1	461.268	2.771	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc(F)cc1	ZINC000408806430	570047707	/nfs/dbraw/zinc/04/77/07/570047707.db2.gz	JESNLZQFDHNTGY-UHFFFAOYSA-N	-1	1	496.232	2.767	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc(F)cc1	ZINC000408806430	570047709	/nfs/dbraw/zinc/04/77/09/570047709.db2.gz	JESNLZQFDHNTGY-UHFFFAOYSA-N	-1	1	496.232	2.767	40	10		JFCBMM
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OC	ZINC000409195589	570163476	/nfs/dbraw/zinc/16/34/76/570163476.db2.gz	WPPYPBSTRPRMLM-QPEQYQDCSA-N	-1	1	491.319	2.996	40	10		JFCBMM
O=C(COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=S)NC1=O)Nc1ccc(Cl)cc1	ZINC000409218207	570173457	/nfs/dbraw/zinc/17/34/57/570173457.db2.gz	DKQPKBDNGBWZBU-UHFFFAOYSA-N	-1	1	450.303	2.925	40	10		JFCBMM
CCOc1cccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@H](C)C(=O)[O-])C(=O)NC2=S)c1	ZINC000409221369	570174589	/nfs/dbraw/zinc/17/45/89/570174589.db2.gz	PJIIQCSGQNXFLU-VVBXCHJUSA-N	-1	1	470.503	2.777	40	10		JFCBMM
CCOc1cccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@@H](C)C(=O)[O-])C(=O)NC2=S)c1	ZINC000409221368	570174595	/nfs/dbraw/zinc/17/45/95/570174595.db2.gz	PJIIQCSGQNXFLU-HNEYUBDGSA-N	-1	1	470.503	2.777	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)cc1	ZINC000409222723	570174941	/nfs/dbraw/zinc/17/49/41/570174941.db2.gz	DROQLEWUGMYYMG-UHFFFAOYSA-N	-1	1	458.268	2.524	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)cc1	ZINC000409222723	570174942	/nfs/dbraw/zinc/17/49/42/570174942.db2.gz	DROQLEWUGMYYMG-UHFFFAOYSA-N	-1	1	458.268	2.524	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1C	ZINC000409247149	570184670	/nfs/dbraw/zinc/18/46/70/570184670.db2.gz	BKAJYMGJUDWBNA-UHFFFAOYSA-N	-1	1	488.294	2.533	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1C	ZINC000409247149	570184671	/nfs/dbraw/zinc/18/46/71/570184671.db2.gz	BKAJYMGJUDWBNA-UHFFFAOYSA-N	-1	1	488.294	2.533	40	10		JFCBMM
Cc1ccccc1NC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Br	ZINC000409254086	570186623	/nfs/dbraw/zinc/18/66/23/570186623.db2.gz	CSOTUDJQQUZDKU-UHFFFAOYSA-N	-1	1	474.336	2.689	40	10		JFCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	ZINC000409259257	570187372	/nfs/dbraw/zinc/18/73/72/570187372.db2.gz	XTTGNMXOCBAMSV-UHFFFAOYSA-N	-1	1	457.870	2.732	40	10		JFCBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	ZINC000409259257	570187374	/nfs/dbraw/zinc/18/73/74/570187374.db2.gz	XTTGNMXOCBAMSV-UHFFFAOYSA-N	-1	1	457.870	2.732	40	10		JFCBMM
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000100334505	569757677	/nfs/dbraw/zinc/75/76/77/569757677.db2.gz	OKIZSWHCKYRNIB-GREHKBSCSA-N	-1	1	493.505	2.696	40	10		JFCBMM
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000100334509	569757761	/nfs/dbraw/zinc/75/77/61/569757761.db2.gz	OKIZSWHCKYRNIB-RRRUWBTGSA-N	-1	1	493.505	2.696	40	10		JFCBMM
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408740599	570031940	/nfs/dbraw/zinc/03/19/40/570031940.db2.gz	HHSUCWXFQTXPAS-XGICHPGQSA-N	-1	1	493.251	2.802	40	10		JFCBMM
O=C(COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1)Nc1cc(Cl)ccc1Cl	ZINC000408763714	570037453	/nfs/dbraw/zinc/03/74/53/570037453.db2.gz	JPVJLWNTABWACW-UHFFFAOYSA-N	-1	1	450.303	2.925	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1Cc1ccccc1F	ZINC000408880722	570062767	/nfs/dbraw/zinc/06/27/67/570062767.db2.gz	HAFVAWIUZUQHFS-UHFFFAOYSA-N	-1	1	496.301	2.944	40	10		JFCBMM
COc1ccc(C(=O)Oc2c(Br)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2OC)cc1	ZINC000408886681	570064717	/nfs/dbraw/zinc/06/47/17/570064717.db2.gz	LGHLREOOGBQISV-UHFFFAOYSA-N	-1	1	491.319	2.600	40	10		JFCBMM
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000409055492	570111511	/nfs/dbraw/zinc/11/15/11/570111511.db2.gz	IXIBFSDUNCXAAS-UHFFFAOYSA-N	-1	1	471.343	2.984	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409066290	570116503	/nfs/dbraw/zinc/11/65/03/570116503.db2.gz	BLKVNCTYOLQFBY-UHFFFAOYSA-N	-1	1	487.342	2.684	40	10		JFCBMM
COc1ccc(N2CCCCC2)cc1C(=O)N1CCC[C@H](Cc2n[n-]cc2S(C)(=O)=O)C1	ZINC000257256507	570125149	/nfs/dbraw/zinc/12/51/49/570125149.db2.gz	KLTBLIOGHIRJMH-QGZVFWFLSA-N	-1	1	460.600	2.907	40	10		JFCBMM
COc1ccc(N2CCCCC2)cc1C(=O)N1CCC[C@H](Cc2[n-]ncc2S(C)(=O)=O)C1	ZINC000257256507	570125150	/nfs/dbraw/zinc/12/51/50/570125150.db2.gz	KLTBLIOGHIRJMH-QGZVFWFLSA-N	-1	1	460.600	2.907	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	ZINC000409257588	570187011	/nfs/dbraw/zinc/18/70/11/570187011.db2.gz	QXFLSDOPLWHMBE-UHFFFAOYSA-N	-1	1	473.938	2.897	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1C	ZINC000409268784	570188999	/nfs/dbraw/zinc/18/89/99/570188999.db2.gz	AJUWMUWIMJTEEJ-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1C	ZINC000409268784	570189000	/nfs/dbraw/zinc/18/90/00/570189000.db2.gz	AJUWMUWIMJTEEJ-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O	ZINC000408533671	570189065	/nfs/dbraw/zinc/18/90/65/570189065.db2.gz	OSZCVCXZIYHSGG-FOWTUZBSSA-N	-1	1	483.531	2.831	40	10		JFCBMM
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	ZINC000104214150	569843279	/nfs/dbraw/zinc/84/32/79/569843279.db2.gz	JEXHFNSTXRONEH-SVPNMLMASA-N	-1	1	492.521	2.800	40	10		JFCBMM
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1O[C@H](C)C(=O)[O-]	ZINC000107890033	569857775	/nfs/dbraw/zinc/85/77/75/569857775.db2.gz	WAHLPFCDCKDNGN-ZEVOCZHWSA-N	-1	1	461.268	2.771	40	10		JFCBMM
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000107890025	569857777	/nfs/dbraw/zinc/85/77/77/569857777.db2.gz	WAHLPFCDCKDNGN-KSSSLANASA-N	-1	1	461.268	2.771	40	10		JFCBMM
O=C(COc1ccc(Br)cc1C=C1C(=O)[N-]C(=S)NC1=O)Nc1ccccc1F	ZINC000107987081	569858204	/nfs/dbraw/zinc/85/82/04/569858204.db2.gz	MUKLIJFVABDEQG-UHFFFAOYSA-N	-1	1	478.299	2.520	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OC(=O)c1cc(F)c(F)cc1Cl	ZINC000408731329	570029127	/nfs/dbraw/zinc/02/91/27/570029127.db2.gz	JUOKBKYGCZFBGC-UHFFFAOYSA-N	-1	1	452.822	2.760	40	10		JFCBMM
COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000408886066	570064602	/nfs/dbraw/zinc/06/46/02/570064602.db2.gz	HSINIYGXKOUHLW-ZROIWOOFSA-N	-1	1	452.491	2.860	40	10		JFCBMM
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409020865	570102906	/nfs/dbraw/zinc/10/29/06/570102906.db2.gz	UWXJHRGAOYZXDH-DWKHYPNZSA-N	-1	1	454.504	2.995	40	10		JFCBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409065557	570116219	/nfs/dbraw/zinc/11/62/19/570116219.db2.gz	TXQIOFZWQPASDB-UHFFFAOYSA-N	-1	1	485.301	2.909	40	10		JFCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409065557	570116220	/nfs/dbraw/zinc/11/62/20/570116220.db2.gz	TXQIOFZWQPASDB-UHFFFAOYSA-N	-1	1	485.301	2.909	40	10		JFCBMM
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)NC2=S)c(OC)c1	ZINC000409098157	570127447	/nfs/dbraw/zinc/12/74/47/570127447.db2.gz	NPSZQLMYSZMGMU-CXUHLZMHSA-N	-1	1	465.487	2.574	40	10		JFCBMM
Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)c1C	ZINC000409260230	570187331	/nfs/dbraw/zinc/18/73/31/570187331.db2.gz	NBIKYJLJRGXUBG-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)c1C	ZINC000409260230	570187332	/nfs/dbraw/zinc/18/73/32/570187332.db2.gz	NBIKYJLJRGXUBG-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000016488314	527047518	/nfs/dbraw/zinc/04/75/18/527047518.db2.gz	BVLBBVXDSXYHPI-VBKFSLOCSA-N	-1	1	469.504	2.523	40	10		JFCBMM
C[C@H](Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)C(=O)[O-]	ZINC000033560370	569627803	/nfs/dbraw/zinc/62/78/03/569627803.db2.gz	WBRIHAKBWZMOEJ-HOXUKUGESA-N	-1	1	478.242	2.605	40	10		JFCBMM
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000033741278	569633127	/nfs/dbraw/zinc/63/31/27/569633127.db2.gz	KUQJWQITSZGHFR-ZSOIEALJSA-N	-1	1	461.268	2.773	40	10		JFCBMM
Nc1[nH]c(=S)[n-]c(=O)c1N=Nc1c(Br)cc(S(N)(=O)=O)cc1Br	ZINC000096900870	569743578	/nfs/dbraw/zinc/74/35/78/569743578.db2.gz	UHWWJOWAVGOCRB-ZCXUNETKSA-N	-1	1	484.155	2.602	40	10	in-vitro	JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	ZINC000107834796	569857613	/nfs/dbraw/zinc/85/76/13/569857613.db2.gz	BNARXMRMYRXYHR-UHFFFAOYSA-N	-1	1	479.558	2.815	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(I)cc1	ZINC000408776669	570040462	/nfs/dbraw/zinc/04/04/62/570040462.db2.gz	PVUBIWGFYIRFLS-UHFFFAOYSA-N	-1	1	494.310	2.793	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(I)c1OC(C)C	ZINC000408919026	570076360	/nfs/dbraw/zinc/07/63/60/570076360.db2.gz	RTPKKZPFHYHPAN-IZZDOVSWSA-N	-1	1	474.320	2.734	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	ZINC000409046249	570108808	/nfs/dbraw/zinc/10/88/08/570108808.db2.gz	JTCBAQWKHVBDMP-UHFFFAOYSA-N	-1	1	473.938	2.979	40	10		JFCBMM
O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1	ZINC000409087358	570123635	/nfs/dbraw/zinc/12/36/35/570123635.db2.gz	YLMZSRGRLCMERA-UHFFFAOYSA-N	-1	1	477.183	2.807	40	10		JFCBMM
O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1	ZINC000409087358	570123636	/nfs/dbraw/zinc/12/36/36/570123636.db2.gz	YLMZSRGRLCMERA-UHFFFAOYSA-N	-1	1	477.183	2.807	40	10		JFCBMM
COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000409196225	570163594	/nfs/dbraw/zinc/16/35/94/570163594.db2.gz	XUKFVXOGLSHNRW-NTUHNPAUSA-N	-1	1	491.319	2.996	40	10		JFCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	ZINC000409254044	570186487	/nfs/dbraw/zinc/18/64/87/570186487.db2.gz	WGRDQIQPQGVPHB-UHFFFAOYSA-N	-1	1	473.938	2.897	40	10		JFCBMM
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c1C	ZINC000409254695	570186603	/nfs/dbraw/zinc/18/66/03/570186603.db2.gz	ZXZHYCBRSNPNEL-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c1C	ZINC000409254695	570186604	/nfs/dbraw/zinc/18/66/04/570186604.db2.gz	ZXZHYCBRSNPNEL-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)c(C)c1	ZINC000409259761	570187431	/nfs/dbraw/zinc/18/74/31/570187431.db2.gz	DYCRJQDARRCYLP-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)c(C)c1	ZINC000409259761	570187433	/nfs/dbraw/zinc/18/74/33/570187433.db2.gz	DYCRJQDARRCYLP-UHFFFAOYSA-N	-1	1	472.295	2.833	40	10		JFCBMM
Cc1ccc(C)c(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)c1	ZINC000409264578	570188241	/nfs/dbraw/zinc/18/82/41/570188241.db2.gz	MIZKECBEMZAOSS-UHFFFAOYSA-N	-1	1	488.363	2.998	40	10		JFCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1Cl	ZINC000409265552	570188344	/nfs/dbraw/zinc/18/83/44/570188344.db2.gz	TWCORDUUFSXGRR-UHFFFAOYSA-N	-1	1	459.911	2.671	40	10		JFCBMM
O=C(COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br)Nc1ccccc1Cl	ZINC000409271762	570189270	/nfs/dbraw/zinc/18/92/70/570189270.db2.gz	MTTQRRRVTAMVBO-UHFFFAOYSA-N	-1	1	478.686	2.869	40	10		JFCBMM
O=C(COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br)Nc1ccccc1Cl	ZINC000409271762	570189271	/nfs/dbraw/zinc/18/92/71/570189271.db2.gz	MTTQRRRVTAMVBO-UHFFFAOYSA-N	-1	1	478.686	2.869	40	10		JFCBMM
O=C(COc1ccccc1C=C1C(=O)[N-]C(=S)NC1=O)Nc1ccc(Cl)c(Cl)c1	ZINC000408555143	570196748	/nfs/dbraw/zinc/19/67/48/570196748.db2.gz	VUYGTPKLHVSHOM-UHFFFAOYSA-N	-1	1	450.303	2.925	40	10		JFCBMM