smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(-c2cc([O-])ccc2Br)nc2c1c(=O)[nH]c(=O)n2CC	ZINC000178989855	532219730	/nfs/dbraw/zinc/21/97/30/532219730.db2.gz	SANWOEWPAMBMCH-UHFFFAOYSA-N	-1	3	379.214	2.061	10	0		GEAEHM
O=c1cc(CCn2cccn2)nc(-c2cccc(CN3CCSCC3)c2)[n-]1	ZINC000048130302	205112613	/nfs/dbraw/zinc/11/26/13/205112613.db2.gz	SLMSXOIURQJXLA-UHFFFAOYSA-N	-1	3	381.505	2.425	10	0		GEAEHM
Cc1cc(C)n(-c2nc(-c3ccccc3)cc(N3CCN(CC(=O)[O-])CC3)n2)n1	ZINC000073685779	524497840	/nfs/dbraw/zinc/49/78/40/524497840.db2.gz	WBYJBALMYMXLCT-UHFFFAOYSA-N	-1	3	392.463	2.153	10	0		GEAEHM
O=c1[n-]c(NCCCN2CCN(c3ccc(F)cc3)CC2)nc2c1CCCC2	ZINC000057343124	527440008	/nfs/dbraw/zinc/44/00/08/527440008.db2.gz	AUXOEQGQOAJMOP-UHFFFAOYSA-N	-1	3	385.487	2.412	10	0		GEAEHM
CC(C)N1CCN([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)OCc3ccccc3)C2)CC1	ZINC000536957776	570470623	/nfs/dbraw/zinc/47/06/23/570470623.db2.gz	FJIZNOKRRQTMLC-RTBURBONSA-N	-1	3	389.496	2.124	10	0		GEAEHM
O=C([O-])C[N@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2ccc(Cl)s2)C1	ZINC000263476413	645666091	/nfs/dbraw/zinc/66/60/91/645666091.db2.gz	JILAQSQFAAJKFV-UHFFFAOYSA-N	-1	3	378.903	2.007	10	0		GEAEHM
O=C([O-])C[N@@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2ccc(Cl)s2)C1	ZINC000263476413	645666096	/nfs/dbraw/zinc/66/60/96/645666096.db2.gz	JILAQSQFAAJKFV-UHFFFAOYSA-N	-1	3	378.903	2.007	10	0		GEAEHM
O=S(=O)([N-]C[C@H]1CCn2ccnc2C1)c1cc(Br)ccc1F	ZINC000328627142	647311446	/nfs/dbraw/zinc/31/14/46/647311446.db2.gz	MLEQMHZGYIJERS-JTQLQIEISA-N	-1	3	388.262	2.326	10	0		GEAEHM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1O	ZINC000091315710	531923902	/nfs/dbraw/zinc/92/39/02/531923902.db2.gz	HAAGKWQNQVPGQJ-JQWIXIFHSA-N	-1	3	378.288	2.287	10	0		GEAEHM
Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCc4ncnn4C3)s2)cs1	ZINC000120589255	531983206	/nfs/dbraw/zinc/98/32/06/531983206.db2.gz	XTPJOWYMXGZCGA-SNVBAGLBSA-N	-1	3	381.508	2.065	10	0		GEAEHM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)c(C)o1	ZINC000176194202	532129653	/nfs/dbraw/zinc/12/96/53/532129653.db2.gz	ASMHSHUPUIAPPQ-LBPRGKRZSA-N	-1	3	383.495	2.281	10	0		GEAEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1sccc1Br	ZINC000177002136	532158516	/nfs/dbraw/zinc/15/85/16/532158516.db2.gz	NCWOOQACYIAUGJ-VIFPVBQESA-N	-1	3	377.289	2.224	10	0		GEAEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000177002103	532158901	/nfs/dbraw/zinc/15/89/01/532158901.db2.gz	DKOVVSGMEBWTFF-NSHDSACASA-N	-1	3	389.250	2.302	10	0		GEAEHM
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1nnc2n1CCCC2	ZINC000178373708	532200288	/nfs/dbraw/zinc/20/02/88/532200288.db2.gz	PQNASGODWUTRRV-MRVPVSSYSA-N	-1	3	376.269	2.356	10	0		GEAEHM
CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1	ZINC000182109653	532309703	/nfs/dbraw/zinc/30/97/03/532309703.db2.gz	BSCAGDXCMXYDJH-JTQLQIEISA-N	-1	3	375.376	2.068	10	0		GEAEHM
O=S(=O)([N-][C@H](CO)c1ccccc1)c1cc(Br)cc2c1OCC2	ZINC000186038047	532339693	/nfs/dbraw/zinc/33/96/93/532339693.db2.gz	PEAHDLFORKROAI-CQSZACIVSA-N	-1	3	398.278	2.396	10	0		GEAEHM
CNC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(C)C	ZINC000192225807	532396404	/nfs/dbraw/zinc/39/64/04/532396404.db2.gz	VSYCDVGAILWIKR-LLVKDONJSA-N	-1	3	383.695	2.151	10	0		GEAEHM
Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](c1cccs1)N1CCO[C@@H](C)C1	ZINC000248369968	532550909	/nfs/dbraw/zinc/55/09/09/532550909.db2.gz	WWGXRFLPGOBLKP-SMDDNHRTSA-N	-1	3	385.511	2.093	10	0		GEAEHM
CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000248857982	532556915	/nfs/dbraw/zinc/55/69/15/532556915.db2.gz	FACGGMBNTLJYKJ-QWRGUYRKSA-N	-1	3	390.864	2.425	10	0		GEAEHM
C[C@H](Sc1ccccc1Cl)C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1	ZINC000262973451	532609213	/nfs/dbraw/zinc/60/92/13/532609213.db2.gz	SGIRSBNRGLTEDJ-QWHCGFSZSA-N	-1	3	386.901	2.064	10	0		GEAEHM
CN(CC(=O)[O-])C[C@H]1CN(c2ccnc3c(Br)cccc23)CCO1	ZINC000263439309	532624385	/nfs/dbraw/zinc/62/43/85/532624385.db2.gz	WKTDRTDHXBFSFI-LBPRGKRZSA-N	-1	3	394.269	2.219	10	0		GEAEHM
CN(CC(=O)[O-])C[C@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1	ZINC000263516095	532628848	/nfs/dbraw/zinc/62/88/48/532628848.db2.gz	ZXRDHAGYBVCHAS-ZDUSSCGKSA-N	-1	3	376.240	2.243	10	0		GEAEHM
Cc1cccc(NC(=O)CSc2nnc3[n-]c(=O)c(C(C)(C)C)nn32)c1C	ZINC000005144287	204115118	/nfs/dbraw/zinc/11/51/18/204115118.db2.gz	PUXLSVMUOOTGIQ-UHFFFAOYSA-N	-1	3	386.481	2.458	10	0		GEAEHM
COC(=O)c1nc(C(C)(C)NC(=O)OCc2ccccc2)nc(OC)c1[O-]	ZINC000035644577	570406202	/nfs/dbraw/zinc/40/62/02/570406202.db2.gz	FCCMQMXYACFBJQ-UHFFFAOYSA-N	-1	3	375.381	2.139	10	0	in-vitro	GEAEHM
CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1	ZINC000104737692	643189866	/nfs/dbraw/zinc/18/98/66/643189866.db2.gz	PZNKOVYZXWGGSO-NSHDSACASA-N	-1	3	377.869	2.200	10	0		GEAEHM
O=S(=O)([N-]C[C@@H]1CCn2ccnc2C1)c1cc(Br)ccc1F	ZINC000328627143	647311545	/nfs/dbraw/zinc/31/15/45/647311545.db2.gz	MLEQMHZGYIJERS-SNVBAGLBSA-N	-1	3	388.262	2.326	10	0		GEAEHM
C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1nnc2n1CCCC2	ZINC000121712325	532044066	/nfs/dbraw/zinc/04/40/66/532044066.db2.gz	UBAPPKMMTULNCH-QMMMGPOBSA-N	-1	3	376.269	2.356	10	0		GEAEHM
C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1nnc2n1CCCC2	ZINC000121778354	532047031	/nfs/dbraw/zinc/04/70/31/532047031.db2.gz	VVZOBLJARAJBNC-MRVPVSSYSA-N	-1	3	391.316	2.478	10	0		GEAEHM
CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC000184912012	532335788	/nfs/dbraw/zinc/33/57/88/532335788.db2.gz	ZHJKXOGLTRJQMY-JTQLQIEISA-N	-1	3	382.404	2.412	10	0		GEAEHM
C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)N1CCOCC1	ZINC000192187189	532393759	/nfs/dbraw/zinc/39/37/59/532393759.db2.gz	IWNOUWZIWHMTID-SNVBAGLBSA-N	-1	3	397.722	2.102	10	0		GEAEHM
CN(CC(=O)[O-])C[C@@H]1CN(C(=O)CCSc2ccccc2Cl)CCO1	ZINC000262874524	532604698	/nfs/dbraw/zinc/60/46/98/532604698.db2.gz	DNFJBXTUYPCQLS-CYBMUJFWSA-N	-1	3	386.901	2.066	10	0		GEAEHM
CN(CC(=O)[O-])C[C@H]1CN(C(=O)CCSc2ccc(Cl)cc2)CCO1	ZINC000262964224	532609576	/nfs/dbraw/zinc/60/95/76/532609576.db2.gz	QQHIVCSWIQVMPS-AWEZNQCLSA-N	-1	3	386.901	2.066	10	0		GEAEHM
Cc1ncc(CO)c(-c2nc3c([nH]2)C(=O)NC[C@H](c2ccc(F)cc2)C3)c1[O-]	ZINC000065386475	205233168	/nfs/dbraw/zinc/23/31/68/205233168.db2.gz	MQOZJXXGZHRLKZ-GFCCVEGCSA-N	-1	3	382.395	2.187	10	0		GEAEHM
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1nc[n-]n1	ZINC000035684112	570413761	/nfs/dbraw/zinc/41/37/61/570413761.db2.gz	JVJKRCYRYOCLOF-UHFFFAOYSA-N	-1	3	376.420	2.019	10	0		GEAEHM
COC(=O)c1cc(S(=O)(=O)[N-]CCn2cc(C)cn2)c(Cl)cc1Cl	ZINC000175293098	532097707	/nfs/dbraw/zinc/09/77/07/532097707.db2.gz	NZNMLKLSJVIMCE-UHFFFAOYSA-N	-1	3	392.264	2.263	10	0		GEAEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(F)cc1Br	ZINC000177006736	532158373	/nfs/dbraw/zinc/15/83/73/532158373.db2.gz	RGLAPBKULQSOFX-NSHDSACASA-N	-1	3	389.250	2.302	10	0		GEAEHM
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(C)C)CN(C)C	ZINC000188220925	532347364	/nfs/dbraw/zinc/34/73/64/532347364.db2.gz	JWKZLNANGIMWDL-ZDUSSCGKSA-N	-1	3	376.906	2.381	10	0		GEAEHM
[O-]c1c(Br)cc(CN[C@H]2CCOC[C@@H]2O)cc1Br	ZINC000628467538	532469594	/nfs/dbraw/zinc/46/95/94/532469594.db2.gz	XVGOFUVWKLFBER-QWRGUYRKSA-N	-1	3	381.064	2.157	10	0		GEAEHM
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1	ZINC000262899856	532606433	/nfs/dbraw/zinc/60/64/33/532606433.db2.gz	HZVYMSWDHFVRLA-OCCSQVGLSA-N	-1	3	386.901	2.064	10	0		GEAEHM
CN(CC(=O)[O-])C[C@H]1CN(Cc2ccc(OC(F)F)c(Cl)c2)CCO1	ZINC000263474905	532626724	/nfs/dbraw/zinc/62/67/24/532626724.db2.gz	FDQGTIVCLAOPEX-LBPRGKRZSA-N	-1	3	378.803	2.159	10	0		GEAEHM
CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1	ZINC000263470988	532626765	/nfs/dbraw/zinc/62/67/65/532626765.db2.gz	HSCYSBYNDVIIKC-UHFFFAOYSA-N	-1	3	381.281	2.209	10	0		GEAEHM
CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1	ZINC000263470988	532626771	/nfs/dbraw/zinc/62/67/71/532626771.db2.gz	HSCYSBYNDVIIKC-UHFFFAOYSA-N	-1	3	381.281	2.209	10	0		GEAEHM
CN(C)c1cc(Cl)cc(Cl)c1CN1CCO[C@@H](CN(C)CC(=O)[O-])C1	ZINC000263517443	532628715	/nfs/dbraw/zinc/62/87/15/532628715.db2.gz	PGYSSVVZZALHDU-ZDUSSCGKSA-N	-1	3	390.311	2.277	10	0		GEAEHM
N[C@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C1=O	ZINC000006524585	204183022	/nfs/dbraw/zinc/18/30/22/204183022.db2.gz	BRNUZUNBOKFZOX-ZDUSSCGKSA-N	-1	3	391.374	2.157	10	0		GEAEHM
CC(C)N1CCN([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)OCc3ccccc3)C2)CC1	ZINC000536957773	570470538	/nfs/dbraw/zinc/47/05/38/570470538.db2.gz	FJIZNOKRRQTMLC-RBUKOAKNSA-N	-1	3	389.496	2.124	10	0		GEAEHM
COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCn1cc(C)cn1	ZINC000157707422	531751438	/nfs/dbraw/zinc/75/14/38/531751438.db2.gz	JKQHVAQFCCZYON-UHFFFAOYSA-N	-1	3	379.463	2.171	10	0		GEAEHM
COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)c1	ZINC000121323943	532023481	/nfs/dbraw/zinc/02/34/81/532023481.db2.gz	ZJHBREYVAAEOJM-ZWNOBZJWSA-N	-1	3	378.288	2.287	10	0		GEAEHM
CNc1cc(N2CCC[C@@H]2C[N-]S(=O)(=O)c2ccc(Cl)s2)ncn1	ZINC000173900479	532040662	/nfs/dbraw/zinc/04/06/62/532040662.db2.gz	OBVTZKMKUIEDGF-SNVBAGLBSA-N	-1	3	387.918	2.181	10	0		GEAEHM
C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)c1nnc2n1CCCC2	ZINC000121778203	532046966	/nfs/dbraw/zinc/04/69/66/532046966.db2.gz	VVZOBLJARAJBNC-QMMMGPOBSA-N	-1	3	391.316	2.478	10	0		GEAEHM
CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)nc1Cl	ZINC000176677473	532145177	/nfs/dbraw/zinc/14/51/77/532145177.db2.gz	CGLLGAUMYDRFAQ-QMMMGPOBSA-N	-1	3	376.269	2.356	10	0		GEAEHM
Cc1cc(N2CCC[C@@H](NCc3cc([O-])ccc3Br)C2=O)n(C)n1	ZINC000178168484	532195552	/nfs/dbraw/zinc/19/55/52/532195552.db2.gz	PVRQZFUPEARVBE-OAHLLOKOSA-N	-1	3	393.285	2.482	10	0		GEAEHM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1F	ZINC000135485687	532275179	/nfs/dbraw/zinc/27/51/79/532275179.db2.gz	FGFBUMOYZSVEFB-CQSZACIVSA-N	-1	3	388.442	2.316	10	0		GEAEHM
C[C@@H](Sc1ccccc1Cl)C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1	ZINC000262973450	532609485	/nfs/dbraw/zinc/60/94/85/532609485.db2.gz	SGIRSBNRGLTEDJ-OLZOCXBDSA-N	-1	3	386.901	2.064	10	0		GEAEHM
CCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)cnc2Cl)C1	ZINC000041066912	642525447	/nfs/dbraw/zinc/52/54/47/642525447.db2.gz	LSAQWBASWYGNGG-SNVBAGLBSA-N	-1	3	382.711	2.260	10	0		GEAEHM
O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000168576427	531881524	/nfs/dbraw/zinc/88/15/24/531881524.db2.gz	HSSUHJXMXUNUEY-LBPRGKRZSA-N	-1	3	392.424	2.316	10	0		GEAEHM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC2	ZINC000114874424	531957185	/nfs/dbraw/zinc/95/71/85/531957185.db2.gz	OIFMQRPDUKKYBU-VIFPVBQESA-N	-1	3	375.281	2.441	10	0		GEAEHM
C[C@H](COCc1ccccc1)NC(=O)CC[N-]S(=O)(=O)c1cccs1	ZINC000172966055	531976071	/nfs/dbraw/zinc/97/60/71/531976071.db2.gz	PCLOIVNZMKENIZ-CQSZACIVSA-N	-1	3	382.507	2.138	10	0		GEAEHM
CCN1CCO[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1	ZINC000134703057	532261776	/nfs/dbraw/zinc/26/17/76/532261776.db2.gz	TXCUFICPZPKUMM-LLVKDONJSA-N	-1	3	397.722	2.102	10	0		GEAEHM
CC(C)C(=O)C[N-]S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1	ZINC000185930505	532339150	/nfs/dbraw/zinc/33/91/50/532339150.db2.gz	FHGDIODTTUTLKL-OAHLLOKOSA-N	-1	3	386.901	2.089	10	0		GEAEHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](CN(C)C)c1ccccc1	ZINC000189962815	532354235	/nfs/dbraw/zinc/35/42/35/532354235.db2.gz	JTYLMHXUYNIHAR-AWEZNQCLSA-N	-1	3	382.507	2.424	10	0		GEAEHM
C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br	ZINC000282288663	532453643	/nfs/dbraw/zinc/45/36/43/532453643.db2.gz	KLMNCARNMOTCCP-XVKPBYJWSA-N	-1	3	381.679	2.048	10	0		GEAEHM
CCc1ccc([C@H](C)NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)cc1	ZINC000195050126	532464279	/nfs/dbraw/zinc/46/42/79/532464279.db2.gz	ZPYNYYRXJAUNDZ-ZDUSSCGKSA-N	-1	3	382.507	2.197	10	0		GEAEHM
Cc1cccc(N2CCN(C(=O)C[N-]S(=O)(=O)c3cccs3)C[C@H]2C)c1	ZINC000004734410	204070847	/nfs/dbraw/zinc/07/08/47/204070847.db2.gz	YBFUEVPEQFTUHX-OAHLLOKOSA-N	-1	3	393.534	2.072	10	0		GEAEHM
O=C([O-])c1cn(C2CC2)c2c([O-])c(N3C[C@@H]4[NH2+]CCC[C@H]4C3)c(F)cc2c1=O	ZINC000255979447	206151454	/nfs/dbraw/zinc/15/14/54/206151454.db2.gz	IRASTQSQRDRSEH-BONVTDFDSA-N	-1	3	387.411	2.068	10	0		GEAEHM
CC(C)c1ccc([C@H](C)NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1	ZINC000029427354	642464202	/nfs/dbraw/zinc/46/42/02/642464202.db2.gz	JXGXUCVPMKCBJU-NSHDSACASA-N	-1	3	394.269	2.300	10	0		GEAEHM
O=S(=O)([N-]CC1CC(O)C1)c1cc(Br)ccc1Br	ZINC000091524846	643065651	/nfs/dbraw/zinc/06/56/51/643065651.db2.gz	VARWQIALESERQI-UHFFFAOYSA-N	-1	3	399.104	2.261	10	0		GEAEHM
Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc([O-])c(Br)c1	ZINC000120487669	643611273	/nfs/dbraw/zinc/61/12/73/643611273.db2.gz	NJVLSIHPLHCREF-GFCCVEGCSA-N	-1	3	380.246	2.389	10	0		GEAEHM
C[C@H]1COC[C@H](C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000155113829	644065363	/nfs/dbraw/zinc/06/53/63/644065363.db2.gz	PSFVPSGJEQEKQE-QWRGUYRKSA-N	-1	3	395.308	2.298	10	0		GEAEHM
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)[C@H]2CCCO2)s1	ZINC000093907570	531927678	/nfs/dbraw/zinc/92/76/78/531927678.db2.gz	AOWILTVNCDQJAA-UKRRQHHQSA-N	-1	3	388.555	2.299	10	0		GEAEHM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC2	ZINC000114875049	531957065	/nfs/dbraw/zinc/95/70/65/531957065.db2.gz	FKKQQMWSKKLDJS-JTQLQIEISA-N	-1	3	375.281	2.441	10	0		GEAEHM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC2	ZINC000114874428	531957418	/nfs/dbraw/zinc/95/74/18/531957418.db2.gz	PKKCESAGUXFEJY-SECBINFHSA-N	-1	3	375.281	2.441	10	0		GEAEHM
CNc1cc(N2CCC[C@H]2C[N-]S(=O)(=O)c2ccc(Cl)s2)ncn1	ZINC000173900495	532040601	/nfs/dbraw/zinc/04/06/01/532040601.db2.gz	OBVTZKMKUIEDGF-JTQLQIEISA-N	-1	3	387.918	2.181	10	0		GEAEHM
CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)nc1Cl	ZINC000176677492	532145895	/nfs/dbraw/zinc/14/58/95/532145895.db2.gz	CGLLGAUMYDRFAQ-MRVPVSSYSA-N	-1	3	376.269	2.356	10	0		GEAEHM
C[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)[C@H]1CCCO1	ZINC000179907907	532249747	/nfs/dbraw/zinc/24/97/47/532249747.db2.gz	IHFGTYCMKHOLAJ-TZMCWYRMSA-N	-1	3	388.555	2.299	10	0		GEAEHM
C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1	ZINC000282541922	532475725	/nfs/dbraw/zinc/47/57/25/532475725.db2.gz	NEDFOPUVWSLBGC-RDDDGLTNSA-N	-1	3	381.679	2.048	10	0		GEAEHM
CSc1ccc(NC(=O)N2CCO[C@@H](CN(C)CC(=O)[O-])C2)cc1Cl	ZINC000263038794	532612108	/nfs/dbraw/zinc/61/21/08/532612108.db2.gz	LMBJTZWXPZBSSM-LBPRGKRZSA-N	-1	3	387.889	2.311	10	0		GEAEHM
CCN(CC(=O)[O-])C1CC(NCc2cccc(Cl)c2S(=O)(=O)CC)C1	ZINC000263510769	532628633	/nfs/dbraw/zinc/62/86/33/532628633.db2.gz	NIDAARQRDFKNLY-UHFFFAOYSA-N	-1	3	388.917	2.161	10	0		GEAEHM
CS(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)[N-]c2ccc(F)c(F)c2)s1	ZINC000064941269	205202521	/nfs/dbraw/zinc/20/25/21/205202521.db2.gz	REOAUXCPGSCLTA-NSHDSACASA-N	-1	3	388.421	2.165	10	0		GEAEHM
Cc1nc(S(=O)(=O)[N-]CCc2cn(CC(C)C)c3ncccc23)cn1C	ZINC000065163302	205214383	/nfs/dbraw/zinc/21/43/83/205214383.db2.gz	DYPHYYIZAFQQCI-UHFFFAOYSA-N	-1	3	375.498	2.255	10	0		GEAEHM
O=C1[C@H]([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)CCN1c1ccc(F)cc1	ZINC000065229282	205220823	/nfs/dbraw/zinc/22/08/23/205220823.db2.gz	HKPPDBNYZFAKRQ-MRXNPFEDSA-N	-1	3	384.379	2.329	10	0		GEAEHM
O=C1[C@@H]([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)CCN1c1ccc(F)cc1	ZINC000065229280	205221406	/nfs/dbraw/zinc/22/14/06/205221406.db2.gz	HKPPDBNYZFAKRQ-INIZCTEOSA-N	-1	3	384.379	2.329	10	0		GEAEHM
CCCN(Cc1ccco1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CCNC2	ZINC000067821099	205262580	/nfs/dbraw/zinc/26/25/80/205262580.db2.gz	RHHIINKTAZHBBA-UHFFFAOYSA-N	-1	3	384.479	2.286	10	0		GEAEHM
O=C([O-])CCc1cc2n(n1)CCN(C(=O)c1ccc(CN3CCCC3)cc1)C2	ZINC000072436172	205350217	/nfs/dbraw/zinc/35/02/17/205350217.db2.gz	NZFRMZLARROZQW-UHFFFAOYSA-N	-1	3	382.464	2.152	10	0		GEAEHM
COCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(N2CCNCC2)c1	ZINC000095574120	136182238	/nfs/dbraw/zinc/18/22/38/136182238.db2.gz	RFVGCLFTYQHKNZ-UHFFFAOYSA-N	-1	3	375.494	2.352	10	0		GEAEHM
COCc1cc(N2CCN(CC(=O)[O-])CC2)nc(-c2ccc(Cl)cc2)n1	ZINC000073685769	522928916	/nfs/dbraw/zinc/92/89/16/522928916.db2.gz	UPHWLTNACDJZIH-UHFFFAOYSA-N	-1	3	376.844	2.150	10	0		GEAEHM
CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)cnc2Cl)C1	ZINC000041066911	642525311	/nfs/dbraw/zinc/52/53/11/642525311.db2.gz	LSAQWBASWYGNGG-JTQLQIEISA-N	-1	3	382.711	2.260	10	0		GEAEHM
COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1CC(O)C1	ZINC000091524344	643066011	/nfs/dbraw/zinc/06/60/11/643066011.db2.gz	PHWUPCPWWRIFAO-UHFFFAOYSA-N	-1	3	384.679	2.160	10	0		GEAEHM
O=S(=O)([N-][C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1C(F)(F)F	ZINC000113298297	643392344	/nfs/dbraw/zinc/39/23/44/643392344.db2.gz	JZXSVLQRPIKHKZ-SECBINFHSA-N	-1	3	380.779	2.244	10	0		GEAEHM
CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1sccc1Br	ZINC000157049591	644127869	/nfs/dbraw/zinc/12/78/69/644127869.db2.gz	RXVGVTAYKYHKFI-SECBINFHSA-N	-1	3	391.316	2.478	10	0		GEAEHM
O=C([O-])C[N@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1	ZINC000263495896	532627767	/nfs/dbraw/zinc/62/77/67/532627767.db2.gz	QVFOGQXBTSMRRL-UHFFFAOYSA-N	-1	3	390.864	2.085	10	0		GEAEHM
O=C([O-])C[N@@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1	ZINC000263495896	532627773	/nfs/dbraw/zinc/62/77/73/532627773.db2.gz	QVFOGQXBTSMRRL-UHFFFAOYSA-N	-1	3	390.864	2.085	10	0		GEAEHM
CC(C)c1ccc([C@@H](C)NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1	ZINC000029427353	642463426	/nfs/dbraw/zinc/46/34/26/642463426.db2.gz	JXGXUCVPMKCBJU-LLVKDONJSA-N	-1	3	394.269	2.300	10	0		GEAEHM
C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)c1cccs1	ZINC000178813823	644440748	/nfs/dbraw/zinc/44/07/48/644440748.db2.gz	YHJXUKBIPSPDKU-SECBINFHSA-N	-1	3	378.472	2.298	10	0		GEAEHM
CC(C)c1nnc2n1C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2	ZINC000181723963	644944897	/nfs/dbraw/zinc/94/48/97/644944897.db2.gz	LFCKCKKUBCPJPE-SECBINFHSA-N	-1	3	390.296	2.397	10	0		GEAEHM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC2	ZINC000114874430	531958054	/nfs/dbraw/zinc/95/80/54/531958054.db2.gz	PKKCESAGUXFEJY-VIFPVBQESA-N	-1	3	375.281	2.441	10	0		GEAEHM
Cc1csc([C@H]2CCCN(C(=O)C[N-]S(=O)(=O)c3cccs3)C2)n1	ZINC000173066690	531985224	/nfs/dbraw/zinc/98/52/24/531985224.db2.gz	KKSALGADQUUYTI-LBPRGKRZSA-N	-1	3	385.536	2.198	10	0		GEAEHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@H]2C)cc1Cl	ZINC000173885082	532040522	/nfs/dbraw/zinc/04/05/22/532040522.db2.gz	MARYYTQCTPXUIJ-BMIGLBTASA-N	-1	3	391.896	2.445	10	0		GEAEHM
Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](c1cccs1)N1CCO[C@H](C)C1	ZINC000175225572	532093810	/nfs/dbraw/zinc/09/38/10/532093810.db2.gz	WWGXRFLPGOBLKP-BXUZGUMPSA-N	-1	3	385.511	2.093	10	0		GEAEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000177006405	532158889	/nfs/dbraw/zinc/15/88/89/532158889.db2.gz	NBMCEEWTZONHMT-QMMMGPOBSA-N	-1	3	377.289	2.224	10	0		GEAEHM
O=S(=O)([N-]C[C@H](O)CN1CCCCC1)c1ccc(Cl)c(F)c1Cl	ZINC000188011579	532346266	/nfs/dbraw/zinc/34/62/66/532346266.db2.gz	NGWVXPYZJWSQMZ-JTQLQIEISA-N	-1	3	385.288	2.258	10	0		GEAEHM
COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](CN(C)C)c1ccccc1	ZINC000189962829	532354194	/nfs/dbraw/zinc/35/41/94/532354194.db2.gz	JTYLMHXUYNIHAR-CQSZACIVSA-N	-1	3	382.507	2.424	10	0		GEAEHM
O=C(c1cc(I)ccc1[O-])N1CCN2CCCC[C@H]2C1	ZINC000195320398	532474469	/nfs/dbraw/zinc/47/44/69/532474469.db2.gz	OOMPSDSTPSVUTA-LBPRGKRZSA-N	-1	3	386.233	2.307	10	0		GEAEHM
O=C([O-])C[N@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2cccc(Cl)c2F)C1	ZINC000263463924	532626871	/nfs/dbraw/zinc/62/68/71/532626871.db2.gz	FNLLOOWMMFWCNG-UHFFFAOYSA-N	-1	3	390.864	2.085	10	0		GEAEHM
O=C([O-])C[N@@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2cccc(Cl)c2F)C1	ZINC000263463924	532626875	/nfs/dbraw/zinc/62/68/75/532626875.db2.gz	FNLLOOWMMFWCNG-UHFFFAOYSA-N	-1	3	390.864	2.085	10	0		GEAEHM
Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000032747653	206256808	/nfs/dbraw/zinc/25/68/08/206256808.db2.gz	HKPYHZYLNTWLQU-UHFFFAOYSA-N	-1	3	381.498	2.045	10	0		GEAEHM
CC[C@H](C)Sc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1cccc(OC)c1	ZINC000004924277	570370610	/nfs/dbraw/zinc/37/06/10/570370610.db2.gz	MBDHSTAQLREJNR-NSHDSACASA-N	-1	3	387.465	2.134	10	0		GEAEHM
C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCCO1	ZINC000122043093	643648723	/nfs/dbraw/zinc/64/87/23/643648723.db2.gz	AJYJSGGOZRXEFY-MFKMUULPSA-N	-1	3	395.308	2.346	10	0		GEAEHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](CO)c2ccccc2)cc1Cl	ZINC000158472905	644146032	/nfs/dbraw/zinc/14/60/32/644146032.db2.gz	XYQJQMHPQMOTFZ-OAHLLOKOSA-N	-1	3	386.832	2.449	10	0		GEAEHM
Cc1cc(N2CCC[C@H](NCc3cc([O-])ccc3Br)C2=O)n(C)n1	ZINC000178168469	532195389	/nfs/dbraw/zinc/19/53/89/532195389.db2.gz	PVRQZFUPEARVBE-HNNXBMFYSA-N	-1	3	393.285	2.482	10	0		GEAEHM
C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)N1CCOCC1	ZINC000192187185	532394069	/nfs/dbraw/zinc/39/40/69/532394069.db2.gz	IWNOUWZIWHMTID-JTQLQIEISA-N	-1	3	397.722	2.102	10	0		GEAEHM
C[C@H](Sc1ccccc1Cl)C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1	ZINC000262973452	532608950	/nfs/dbraw/zinc/60/89/50/532608950.db2.gz	SGIRSBNRGLTEDJ-STQMWFEESA-N	-1	3	386.901	2.064	10	0		GEAEHM
CN1CC(=O)N=C1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000012974059	207334179	/nfs/dbraw/zinc/33/41/79/207334179.db2.gz	WJFJXYMOXNZOAM-UHFFFAOYSA-N	-1	3	390.396	2.318	10	0		GEAEHM
O=C([O-])[C@H](c1ccc(F)c(CO)c1)N1CCC(CCN2CCCC2=O)CC1	ZINC000095501561	208200365	/nfs/dbraw/zinc/20/03/65/208200365.db2.gz	AISNZLOVPNSTEP-IBGZPJMESA-N	-1	3	378.444	2.168	10	0		GEAEHM
COCc1cc(OCC(=O)[O-])nc(NC2CCN(Cc3ccccc3)CC2)n1	ZINC000073709100	522937340	/nfs/dbraw/zinc/93/73/40/522937340.db2.gz	XROJVMOXUAYPEX-UHFFFAOYSA-N	-1	3	386.452	2.163	10	0		GEAEHM
COCCN1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H]1C	ZINC000126252874	643726287	/nfs/dbraw/zinc/72/62/87/643726287.db2.gz	JRDIBRILDRPOKH-GFCCVEGCSA-N	-1	3	386.290	2.017	10	0		GEAEHM
CCc1nc([C@H]2CN(C(=O)c3cc(Br)ccc3[O-])CCO2)n[nH]1	ZINC000174644707	644378652	/nfs/dbraw/zinc/37/86/52/644378652.db2.gz	KIRCTMRHXYWGEG-GFCCVEGCSA-N	-1	3	381.230	2.049	10	0		GEAEHM
CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000262490658	645633586	/nfs/dbraw/zinc/63/35/86/645633586.db2.gz	XBQKBQJFLJIYTD-UHFFFAOYSA-N	-1	3	381.281	2.209	10	0		GEAEHM
CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1	ZINC000262490658	645633591	/nfs/dbraw/zinc/63/35/91/645633591.db2.gz	XBQKBQJFLJIYTD-UHFFFAOYSA-N	-1	3	381.281	2.209	10	0		GEAEHM
C[C@H](COCc1ccccc1)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1	ZINC000172976551	531977506	/nfs/dbraw/zinc/97/75/06/531977506.db2.gz	HQFODUXBGJQQNR-ZIAGYGMSSA-N	-1	3	382.507	2.136	10	0		GEAEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1sccc1Br	ZINC000177002149	532158783	/nfs/dbraw/zinc/15/87/83/532158783.db2.gz	NCWOOQACYIAUGJ-SECBINFHSA-N	-1	3	377.289	2.224	10	0		GEAEHM
CNC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(C)C	ZINC000178750132	532212432	/nfs/dbraw/zinc/21/24/32/532212432.db2.gz	ZBYMDAZSSKJSFF-LLVKDONJSA-N	-1	3	383.695	2.151	10	0		GEAEHM
COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)CN(C)Cc1ccccc1	ZINC000180834139	532282847	/nfs/dbraw/zinc/28/28/47/532282847.db2.gz	RBOWYGMNMZIZNQ-ZDUSSCGKSA-N	-1	3	382.507	2.334	10	0		GEAEHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1O	ZINC000183720670	532328513	/nfs/dbraw/zinc/32/85/13/532328513.db2.gz	QXCNBUISNGPGNN-CABZTGNLSA-N	-1	3	396.278	2.426	10	0		GEAEHM
CC(=O)N[C@@H]1CCN(Cc2cccc(-c3nc(-c4ccncc4)cc(=O)[n-]3)c2)C1	ZINC000023478666	207277348	/nfs/dbraw/zinc/27/73/48/207277348.db2.gz	WMNWGEKECDFPKB-LJQANCHMSA-N	-1	3	389.459	2.209	10	0		GEAEHM
Cc1nnc(S(=O)(=O)[N-]c2ccccc2Cl)n(Cc2ccccc2)c1=O	ZINC000032611932	207398758	/nfs/dbraw/zinc/39/87/58/207398758.db2.gz	FFFRFKHAZHACRW-UHFFFAOYSA-N	-1	3	390.852	2.449	10	0		GEAEHM
O=C([O-])CN1CCN(c2cc(-c3cccnc3)nc(-c3ccccc3)n2)CC1	ZINC000073685418	527611177	/nfs/dbraw/zinc/61/11/77/527611177.db2.gz	JMBNBWZZWZGJJI-UHFFFAOYSA-N	-1	3	375.432	2.412	10	0		GEAEHM
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCO2)s1	ZINC000093907569	531927316	/nfs/dbraw/zinc/92/73/16/531927316.db2.gz	AOWILTVNCDQJAA-DZGCQCFKSA-N	-1	3	388.555	2.299	10	0		GEAEHM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC2	ZINC000114874421	531957209	/nfs/dbraw/zinc/95/72/09/531957209.db2.gz	OIFMQRPDUKKYBU-SECBINFHSA-N	-1	3	375.281	2.441	10	0		GEAEHM
C[C@H]([N-]S(=O)(=O)c1sccc1Br)c1nnc2n1CCCC2	ZINC000121736437	532045481	/nfs/dbraw/zinc/04/54/81/532045481.db2.gz	MFUAFYNILSVFBL-QMMMGPOBSA-N	-1	3	391.316	2.478	10	0		GEAEHM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)c(C)o1	ZINC000176194189	532129210	/nfs/dbraw/zinc/12/92/10/532129210.db2.gz	ASMHSHUPUIAPPQ-GFCCVEGCSA-N	-1	3	383.495	2.281	10	0		GEAEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000177006421	532158625	/nfs/dbraw/zinc/15/86/25/532158625.db2.gz	NBMCEEWTZONHMT-MRVPVSSYSA-N	-1	3	377.289	2.224	10	0		GEAEHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1O	ZINC000183720726	532328535	/nfs/dbraw/zinc/32/85/35/532328535.db2.gz	QXCNBUISNGPGNN-BXKDBHETSA-N	-1	3	396.278	2.426	10	0		GEAEHM
CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1	ZINC000184911437	532335745	/nfs/dbraw/zinc/33/57/45/532335745.db2.gz	ALJBCJDSWIUEBC-JTQLQIEISA-N	-1	3	393.303	2.156	10	0		GEAEHM
CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000248857980	532557838	/nfs/dbraw/zinc/55/78/38/532557838.db2.gz	FACGGMBNTLJYKJ-MNOVXSKESA-N	-1	3	390.864	2.425	10	0		GEAEHM
CN(CC(=O)[O-])C[C@H]1CN(Cc2ccc(Cl)c(Br)c2)CCO1	ZINC000263529593	532629756	/nfs/dbraw/zinc/62/97/56/532629756.db2.gz	VTQAYRXKBJHTBX-LBPRGKRZSA-N	-1	3	391.693	2.320	10	0		GEAEHM
O=C([O-])CN1CCN(c2cc(-c3ccncc3)nc(-c3ccccc3)n2)CC1	ZINC000073685414	527611909	/nfs/dbraw/zinc/61/19/09/527611909.db2.gz	IKLLSEWCYQTZTR-UHFFFAOYSA-N	-1	3	375.432	2.412	10	0		GEAEHM
O=C(c1ccc(I)c([O-])c1)N1CCN2CCCC[C@@H]2C1	ZINC000230890885	645401316	/nfs/dbraw/zinc/40/13/16/645401316.db2.gz	HWKGOUVMLQLYGJ-GFCCVEGCSA-N	-1	3	386.233	2.307	10	0		GEAEHM
O=S(=O)([N-]C[C@H]1CCn2ccnc2C1)c1cc(F)ccc1Br	ZINC000328631655	647311504	/nfs/dbraw/zinc/31/15/04/647311504.db2.gz	RFFKSMLVNPNIFA-JTQLQIEISA-N	-1	3	388.262	2.326	10	0		GEAEHM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1O	ZINC000091315720	531924364	/nfs/dbraw/zinc/92/43/64/531924364.db2.gz	HAAGKWQNQVPGQJ-ZYHUDNBSSA-N	-1	3	378.288	2.287	10	0		GEAEHM
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)COCc1ccccc1	ZINC000172976547	531977595	/nfs/dbraw/zinc/97/75/95/531977595.db2.gz	HQFODUXBGJQQNR-UONOGXRCSA-N	-1	3	382.507	2.136	10	0		GEAEHM
Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000176213351	532129503	/nfs/dbraw/zinc/12/95/03/532129503.db2.gz	YRJNWJVRYHYDAH-LBPRGKRZSA-N	-1	3	379.404	2.033	10	0		GEAEHM
Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)o1	ZINC000135419498	532273738	/nfs/dbraw/zinc/27/37/38/532273738.db2.gz	UGDWOUMUWHEJIB-SNVBAGLBSA-N	-1	3	376.431	2.138	10	0		GEAEHM
CN(CC(=O)[O-])C[C@H]1CN(Cc2cc(Br)c(Cl)s2)CCO1	ZINC000263515085	532628136	/nfs/dbraw/zinc/62/81/36/532628136.db2.gz	OKZQQBAMUFMFGH-VIFPVBQESA-N	-1	3	397.722	2.381	10	0		GEAEHM
CSc1ccc(Cl)cc1NC(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1	ZINC000263492730	532628229	/nfs/dbraw/zinc/62/82/29/532628229.db2.gz	PNJGQEAQKZKPRL-LBPRGKRZSA-N	-1	3	387.889	2.311	10	0		GEAEHM
O=C(CSc1nnc2[n-]c(=O)c(-c3ccccc3)nn21)Nc1ccccc1	ZINC000005144080	209123577	/nfs/dbraw/zinc/12/35/77/209123577.db2.gz	RUPXIZKLOFQNIZ-UHFFFAOYSA-N	-1	3	378.417	2.210	10	0		GEAEHM
CC(=O)N[C@H]1CCN(Cc2cccc(-c3nc(-c4ccncc4)cc(=O)[n-]3)c2)C1	ZINC000023478668	207277272	/nfs/dbraw/zinc/27/72/72/207277272.db2.gz	WMNWGEKECDFPKB-IBGZPJMESA-N	-1	3	389.459	2.209	10	0		GEAEHM
Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCCN2Cc2ccccc2)c1Cl	ZINC000065885814	642890700	/nfs/dbraw/zinc/89/07/00/642890700.db2.gz	MCKHKOIHDFDPOP-HNNXBMFYSA-N	-1	3	382.917	2.407	10	0		GEAEHM
O=C(c1ccc(I)c([O-])c1)N1CCN2CCCC[C@H]2C1	ZINC000230890887	645401263	/nfs/dbraw/zinc/40/12/63/645401263.db2.gz	HWKGOUVMLQLYGJ-LBPRGKRZSA-N	-1	3	386.233	2.307	10	0		GEAEHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)cc1Cl	ZINC000121357515	532025735	/nfs/dbraw/zinc/02/57/35/532025735.db2.gz	WVPQKNKYTOKFFS-QMTHXVAHSA-N	-1	3	378.853	2.267	10	0		GEAEHM
Cc1ccc([C@H](C)NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)o1	ZINC000135419520	532274041	/nfs/dbraw/zinc/27/40/41/532274041.db2.gz	UGDWOUMUWHEJIB-JTQLQIEISA-N	-1	3	376.431	2.138	10	0		GEAEHM
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1	ZINC000262899876	532607143	/nfs/dbraw/zinc/60/71/43/532607143.db2.gz	HZVYMSWDHFVRLA-TZMCWYRMSA-N	-1	3	386.901	2.064	10	0		GEAEHM
CN(CC(=O)[O-])C[C@@H]1CN(c2ccnc3cc(Br)ccc32)CCO1	ZINC000263396442	532624033	/nfs/dbraw/zinc/62/40/33/532624033.db2.gz	HTDXZYBEETWXGK-CYBMUJFWSA-N	-1	3	394.269	2.219	10	0		GEAEHM
CN(CC(=O)[O-])C[C@@H]1CN(Cc2cc(Cl)ccc2Br)CCO1	ZINC000263506493	532628449	/nfs/dbraw/zinc/62/84/49/532628449.db2.gz	MFKKPQHWCMXTLV-CYBMUJFWSA-N	-1	3	391.693	2.320	10	0		GEAEHM
Cc1nc(-c2ccc(CN3CCN(C[C@@H]4CCCO4)CC3)cc2)[n-]c(=O)c1C	ZINC000023429443	206252474	/nfs/dbraw/zinc/25/24/74/206252474.db2.gz	XJUMLRUBGZNSJV-FQEVSTJZSA-N	-1	3	382.508	2.350	10	0		GEAEHM
O=c1cc(CN2CCCCC2)nc(N2CCN(Cc3ccccc3F)CC2)[n-]1	ZINC000035925344	570479627	/nfs/dbraw/zinc/47/96/27/570479627.db2.gz	NKFLTZMKBCPXII-UHFFFAOYSA-N	-1	3	385.487	2.217	10	0		GEAEHM
O=S(=O)([N-][C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1C(F)(F)F	ZINC000113298300	643392384	/nfs/dbraw/zinc/39/23/84/643392384.db2.gz	JZXSVLQRPIKHKZ-VIFPVBQESA-N	-1	3	380.779	2.244	10	0		GEAEHM
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2	ZINC000159351869	531780379	/nfs/dbraw/zinc/78/03/79/531780379.db2.gz	ASFAOYCWYPJMAF-SECBINFHSA-N	-1	3	390.296	2.397	10	0		GEAEHM
COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3nc(C(C)C)nn3C2)c1	ZINC000159351605	531780009	/nfs/dbraw/zinc/78/00/09/531780009.db2.gz	IONQREPLNAFTRT-LLVKDONJSA-N	-1	3	384.889	2.357	10	0		GEAEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(F)cc1Br	ZINC000177006754	532158914	/nfs/dbraw/zinc/15/89/14/532158914.db2.gz	RGLAPBKULQSOFX-LLVKDONJSA-N	-1	3	389.250	2.302	10	0		GEAEHM
O=C(NCC[N-]S(=O)(=O)c1cccs1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1	ZINC000133170809	532228967	/nfs/dbraw/zinc/22/89/67/532228967.db2.gz	PWAKNZVDKOINAH-NWDGAFQWSA-N	-1	3	386.445	2.225	10	0		GEAEHM
C[C@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)[C@H]1CCCO1	ZINC000179907892	532249659	/nfs/dbraw/zinc/24/96/59/532249659.db2.gz	IHFGTYCMKHOLAJ-GXTWGEPZSA-N	-1	3	388.555	2.299	10	0		GEAEHM
COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(C)C)CN(C)C	ZINC000188220953	532347419	/nfs/dbraw/zinc/34/74/19/532347419.db2.gz	JWKZLNANGIMWDL-CYBMUJFWSA-N	-1	3	376.906	2.381	10	0		GEAEHM
C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br	ZINC000282288656	532453761	/nfs/dbraw/zinc/45/37/61/532453761.db2.gz	KLMNCARNMOTCCP-GMSGAONNSA-N	-1	3	381.679	2.048	10	0		GEAEHM
CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1	ZINC000262440979	532594782	/nfs/dbraw/zinc/59/47/82/532594782.db2.gz	AVAMCRTULKWMKL-UHFFFAOYSA-N	-1	3	381.281	2.209	10	0		GEAEHM
CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1	ZINC000262440979	532594784	/nfs/dbraw/zinc/59/47/84/532594784.db2.gz	AVAMCRTULKWMKL-UHFFFAOYSA-N	-1	3	381.281	2.209	10	0		GEAEHM
CN(CC(=O)[O-])C[C@H]1CN(c2ccc3cccc(Br)c3n2)CCO1	ZINC000263432994	532624114	/nfs/dbraw/zinc/62/41/14/532624114.db2.gz	UGCFQRSWYKQITG-ZDUSSCGKSA-N	-1	3	394.269	2.219	10	0		GEAEHM
COc1c(N2C[C@H](C)N[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000005930098	206293047	/nfs/dbraw/zinc/29/30/47/206293047.db2.gz	PDLYJBPWYAMEFJ-QWRGUYRKSA-N	-1	3	389.427	2.369	10	0		GEAEHM
O=C(N[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CCC[C@H]1O)c1ccc([O-])cc1	ZINC000015672227	208036378	/nfs/dbraw/zinc/03/63/78/208036378.db2.gz	LVYIBPXMWSPADJ-QZTJIDSGSA-N	-1	3	387.411	2.319	10	0		GEAEHM
COc1cc2n[n-]nc2cc1C(=O)NCCOc1ccc(C(F)(F)F)cn1	ZINC000097373276	208353603	/nfs/dbraw/zinc/35/36/03/208353603.db2.gz	WDHDFCQSDXRITR-UHFFFAOYSA-N	-1	3	381.314	2.189	10	0		GEAEHM
O=C([O-])CN1CCN(c2cc(-c3ccccn3)nc(-c3ccccc3)n2)CC1	ZINC000073685422	527611029	/nfs/dbraw/zinc/61/10/29/527611029.db2.gz	GFJPTFQAAZRVDE-UHFFFAOYSA-N	-1	3	375.432	2.412	10	0		GEAEHM
O=C([O-])Cn1c2ccccc2c(=O)n(C2CCN(Cc3ccccc3)CC2)c1=O	ZINC000073658584	527641328	/nfs/dbraw/zinc/64/13/28/527641328.db2.gz	DOCLPQLQAKBLRD-UHFFFAOYSA-N	-1	3	393.443	2.085	10	0		GEAEHM
CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NC1CCCCC1	ZINC000005067929	570897414	/nfs/dbraw/zinc/89/74/14/570897414.db2.gz	OSELHEQKFAFBIH-OAHLLOKOSA-N	-1	3	396.538	2.443	10	0		GEAEHM
C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@@H]1N1CCOCC1	ZINC000126150440	643723155	/nfs/dbraw/zinc/72/31/55/643723155.db2.gz	ZZIXTVIDLAMJSQ-DOMZBBRYSA-N	-1	3	398.301	2.017	10	0		GEAEHM
O=S(=O)([N-]C[C@H]1CCn2ccnc2C1)c1ccc(Br)s1	ZINC000328629752	647311296	/nfs/dbraw/zinc/31/12/96/647311296.db2.gz	PDJOQYCRZSIYLQ-VIFPVBQESA-N	-1	3	376.301	2.248	10	0		GEAEHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@@H]2C)cc1Cl	ZINC000173885096	532040569	/nfs/dbraw/zinc/04/05/69/532040569.db2.gz	MARYYTQCTPXUIJ-BONVTDFDSA-N	-1	3	391.896	2.445	10	0		GEAEHM
Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](c1cccs1)N1CCO[C@H](C)C1	ZINC000175225554	532093850	/nfs/dbraw/zinc/09/38/50/532093850.db2.gz	WWGXRFLPGOBLKP-RISCZKNCSA-N	-1	3	385.511	2.093	10	0		GEAEHM
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)c1nnc2n1CCCC2	ZINC000178373694	532200315	/nfs/dbraw/zinc/20/03/15/532200315.db2.gz	PQNASGODWUTRRV-QMMMGPOBSA-N	-1	3	376.269	2.356	10	0		GEAEHM
C[C@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl	ZINC000282669533	532486768	/nfs/dbraw/zinc/48/67/68/532486768.db2.gz	VYQDVCYOCUGBOE-XCBNKYQSSA-N	-1	3	381.679	2.048	10	0		GEAEHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CN(C(C)C)C[C@H]2C)cc1Cl	ZINC000246163103	532531781	/nfs/dbraw/zinc/53/17/81/532531781.db2.gz	MARYYTQCTPXUIJ-MEBBXXQBSA-N	-1	3	391.896	2.445	10	0		GEAEHM
CCSc1ccc(Cl)cc1C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1	ZINC000262845147	532604185	/nfs/dbraw/zinc/60/41/85/532604185.db2.gz	JJBUQTJEMXJYQG-CYBMUJFWSA-N	-1	3	386.901	2.309	10	0		GEAEHM
CN(CC(=O)[O-])C[C@@H]1CN(c2nnc(-c3ccccc3Cl)s2)CCO1	ZINC000263446129	532626056	/nfs/dbraw/zinc/62/60/56/532626056.db2.gz	YSEWGRKLEPURNK-LLVKDONJSA-N	-1	3	382.873	2.080	10	0		GEAEHM
O=C([O-])c1cn(-c2ccccc2F)c2cc(N3CCNCC3)c(F)cc2c1=O	ZINC000005933984	206292952	/nfs/dbraw/zinc/29/29/52/206292952.db2.gz	ARZDSVFJNIANND-UHFFFAOYSA-N	-1	3	385.370	2.377	10	0		GEAEHM
COCCNC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccco1	ZINC000002938589	206447444	/nfs/dbraw/zinc/44/74/44/206447444.db2.gz	XMJZEUAIYULSAC-AWEZNQCLSA-N	-1	3	386.857	2.105	10	0		GEAEHM
COCCN1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@@H]1C	ZINC000126253022	643726320	/nfs/dbraw/zinc/72/63/20/643726320.db2.gz	JRDIBRILDRPOKH-LBPRGKRZSA-N	-1	3	386.290	2.017	10	0		GEAEHM
CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000185153329	645037048	/nfs/dbraw/zinc/03/70/48/645037048.db2.gz	AAGUPIVNGKYGOU-GHMZBOCLSA-N	-1	3	390.864	2.425	10	0		GEAEHM
CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1O	ZINC000052004307	531745532	/nfs/dbraw/zinc/74/55/32/531745532.db2.gz	OSBVARMHUXTOIN-NWDGAFQWSA-N	-1	3	378.288	2.430	10	0		GEAEHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CO)cc1Cl	ZINC000134035993	532248521	/nfs/dbraw/zinc/24/85/21/532248521.db2.gz	NMAFOANXGBNWOY-MFKMUULPSA-N	-1	3	378.853	2.267	10	0		GEAEHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CO)cc1Cl	ZINC000134035785	532249281	/nfs/dbraw/zinc/24/92/81/532249281.db2.gz	NMAFOANXGBNWOY-ZWNOBZJWSA-N	-1	3	378.853	2.267	10	0		GEAEHM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cc1F	ZINC000135485705	532274859	/nfs/dbraw/zinc/27/48/59/532274859.db2.gz	FGFBUMOYZSVEFB-AWEZNQCLSA-N	-1	3	388.442	2.316	10	0		GEAEHM
CCSc1cc(Cl)ccc1C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1	ZINC000263139710	532616614	/nfs/dbraw/zinc/61/66/14/532616614.db2.gz	MLKMZVYOLYABPZ-ZDUSSCGKSA-N	-1	3	386.901	2.309	10	0		GEAEHM
C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1	ZINC000262899841	532606494	/nfs/dbraw/zinc/60/64/94/532606494.db2.gz	HZVYMSWDHFVRLA-JSGCOSHPSA-N	-1	3	386.901	2.064	10	0		GEAEHM
Cc1ccc(NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)c(Br)c1	ZINC000002726331	209380188	/nfs/dbraw/zinc/38/01/88/209380188.db2.gz	GZJIECVFFMYWTE-UHFFFAOYSA-N	-1	3	388.221	2.399	10	0		GEAEHM
O=C(NCCc1cc(=O)[n-]cn1)c1csc2nc(-c3ccccc3F)cn12	ZINC000067894849	211029968	/nfs/dbraw/zinc/02/99/68/211029968.db2.gz	OQRQBTZEZVNDMU-UHFFFAOYSA-N	-1	3	383.408	2.258	10	0		GEAEHM
CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)NC1CCCCC1	ZINC000005067923	570897430	/nfs/dbraw/zinc/89/74/30/570897430.db2.gz	OSELHEQKFAFBIH-HNNXBMFYSA-N	-1	3	396.538	2.443	10	0		GEAEHM
Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc([O-])c(Br)c1	ZINC000120487518	643611582	/nfs/dbraw/zinc/61/15/82/643611582.db2.gz	NJVLSIHPLHCREF-LBPRGKRZSA-N	-1	3	380.246	2.389	10	0		GEAEHM
COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3nc(C(C)C)nn3C2)c1	ZINC000159351716	531780629	/nfs/dbraw/zinc/78/06/29/531780629.db2.gz	IONQREPLNAFTRT-NSHDSACASA-N	-1	3	384.889	2.357	10	0		GEAEHM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC2	ZINC000114875046	531957857	/nfs/dbraw/zinc/95/78/57/531957857.db2.gz	FKKQQMWSKKLDJS-SNVBAGLBSA-N	-1	3	375.281	2.441	10	0		GEAEHM
COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCn3ncnc32)cc1Cl	ZINC000176747429	532148068	/nfs/dbraw/zinc/14/80/68/532148068.db2.gz	QKCBOHLASVZTPB-SNVBAGLBSA-N	-1	3	377.253	2.407	10	0		GEAEHM
COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCn1cc(C)cn1	ZINC000190672553	532357361	/nfs/dbraw/zinc/35/73/61/532357361.db2.gz	PDYDKHOETQXJDE-ZDUSSCGKSA-N	-1	3	387.889	2.237	10	0		GEAEHM
[O-]c1c(Br)cc(CN[C@H]2CCOC[C@H]2O)cc1Br	ZINC000628467539	532468985	/nfs/dbraw/zinc/46/89/85/532468985.db2.gz	XVGOFUVWKLFBER-WDEREUQCSA-N	-1	3	381.064	2.157	10	0		GEAEHM
C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl	ZINC000282669525	532486654	/nfs/dbraw/zinc/48/66/54/532486654.db2.gz	VYQDVCYOCUGBOE-GMSGAONNSA-N	-1	3	381.679	2.048	10	0		GEAEHM
C[C@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1	ZINC000282541917	532475581	/nfs/dbraw/zinc/47/55/81/532475581.db2.gz	NEDFOPUVWSLBGC-HQJQHLMTSA-N	-1	3	381.679	2.048	10	0		GEAEHM
O=C(c1cc(I)ccc1[O-])N1CCN2CCCC[C@@H]2C1	ZINC000195320391	532475643	/nfs/dbraw/zinc/47/56/43/532475643.db2.gz	OOMPSDSTPSVUTA-GFCCVEGCSA-N	-1	3	386.233	2.307	10	0		GEAEHM
O=C([O-])[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)C[C@H]1C(F)(F)F	ZINC000263071228	532613892	/nfs/dbraw/zinc/61/38/92/532613892.db2.gz	WPDUCLLSCDXBMN-VXGBXAGGSA-N	-1	3	376.400	2.218	10	0		GEAEHM
CCSc1ccc(Cl)cc1C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1	ZINC000262845149	532603988	/nfs/dbraw/zinc/60/39/88/532603988.db2.gz	JJBUQTJEMXJYQG-ZDUSSCGKSA-N	-1	3	386.901	2.309	10	0		GEAEHM
COc1c(Cl)cc(Cl)cc1CN1CCO[C@H](CN(C)CC(=O)[O-])C1	ZINC000263531457	532630165	/nfs/dbraw/zinc/63/01/65/532630165.db2.gz	WSKLKCIVRJHMAI-CYBMUJFWSA-N	-1	3	377.268	2.219	10	0		GEAEHM
Cc1nc(-c2ccc(CN3CCN(C[C@H]4CCCO4)CC3)cc2)[n-]c(=O)c1C	ZINC000023429447	209176445	/nfs/dbraw/zinc/17/64/45/209176445.db2.gz	XJUMLRUBGZNSJV-HXUWFJFHSA-N	-1	3	382.508	2.350	10	0		GEAEHM
O=C([O-])CN1CCN(c2cc(-c3ccccc3)nc(-c3cccnc3)n2)CC1	ZINC000073685594	527610618	/nfs/dbraw/zinc/61/06/18/527610618.db2.gz	NLRQVAJZUVGVDZ-UHFFFAOYSA-N	-1	3	375.432	2.412	10	0		GEAEHM
Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCCCN2Cc2ccccc2)c1Cl	ZINC000067435827	642967045	/nfs/dbraw/zinc/96/70/45/642967045.db2.gz	MCKHKOIHDFDPOP-OAHLLOKOSA-N	-1	3	382.917	2.407	10	0		GEAEHM
C[C@H](NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCCO1	ZINC000122042867	643648681	/nfs/dbraw/zinc/64/86/81/643648681.db2.gz	AJYJSGGOZRXEFY-GWCFXTLKSA-N	-1	3	395.308	2.346	10	0		GEAEHM
C[C@@H]1COC[C@@H](C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000155113935	644065326	/nfs/dbraw/zinc/06/53/26/644065326.db2.gz	PSFVPSGJEQEKQE-GHMZBOCLSA-N	-1	3	395.308	2.298	10	0		GEAEHM
C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1cn(C)nn1	ZINC000720525218	651476380	/nfs/dbraw/zinc/47/63/80/651476380.db2.gz	SJOQEZCTSHSXBG-SSDOTTSWSA-N	-1	3	379.667	2.271	10	0		GEAEHM
COC(=O)[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1	ZINC000112634217	531949373	/nfs/dbraw/zinc/94/93/73/531949373.db2.gz	BBJXWZQHJDTRKO-SNVBAGLBSA-N	-1	3	393.237	2.316	10	0		GEAEHM
COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)c1	ZINC000121323506	532023929	/nfs/dbraw/zinc/02/39/29/532023929.db2.gz	ZJHBREYVAAEOJM-GWCFXTLKSA-N	-1	3	378.288	2.287	10	0		GEAEHM
COCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl	ZINC000129398142	532177127	/nfs/dbraw/zinc/17/71/27/532177127.db2.gz	KXAXHYRHSAGHSF-GFCCVEGCSA-N	-1	3	388.852	2.339	10	0		GEAEHM
O=C(NCC[N-]S(=O)(=O)c1cccs1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1	ZINC000133170657	532228561	/nfs/dbraw/zinc/22/85/61/532228561.db2.gz	PWAKNZVDKOINAH-NEPJUHHUSA-N	-1	3	386.445	2.225	10	0		GEAEHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CO)cc1Cl	ZINC000134036201	532248767	/nfs/dbraw/zinc/24/87/67/532248767.db2.gz	NMAFOANXGBNWOY-GXFFZTMASA-N	-1	3	378.853	2.267	10	0		GEAEHM
CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1	ZINC000182109674	532309663	/nfs/dbraw/zinc/30/96/63/532309663.db2.gz	BSCAGDXCMXYDJH-SNVBAGLBSA-N	-1	3	375.376	2.068	10	0		GEAEHM
COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCn1cc(C)cn1	ZINC000183668004	532327573	/nfs/dbraw/zinc/32/75/73/532327573.db2.gz	GUAAUCFIVGHGCS-UHFFFAOYSA-N	-1	3	392.250	2.080	10	0		GEAEHM
C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)N1	ZINC000013649616	209234743	/nfs/dbraw/zinc/23/47/43/209234743.db2.gz	CMGSYIRPKZAEFD-AOOOYVTPSA-N	-1	3	377.391	2.499	10	0		GEAEHM
CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000185154552	645037796	/nfs/dbraw/zinc/03/77/96/645037796.db2.gz	FACGGMBNTLJYKJ-GHMZBOCLSA-N	-1	3	390.864	2.425	10	0		GEAEHM
Cc1nc(CC(=O)N2CCC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)cs1	ZINC000015066632	210147262	/nfs/dbraw/zinc/14/72/62/210147262.db2.gz	DHJCTGXWJSGTCP-CYBMUJFWSA-N	-1	3	399.563	2.273	10	0		GEAEHM
C[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)[C@@H]1CCCO1	ZINC000179907879	532249604	/nfs/dbraw/zinc/24/96/04/532249604.db2.gz	IHFGTYCMKHOLAJ-OCCSQVGLSA-N	-1	3	388.555	2.299	10	0		GEAEHM
C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl	ZINC000282669539	532486561	/nfs/dbraw/zinc/48/65/61/532486561.db2.gz	VYQDVCYOCUGBOE-XVKPBYJWSA-N	-1	3	381.679	2.048	10	0		GEAEHM
CN(CC(=O)[O-])C[C@H]1CN(Cc2cc(Cl)ccc2Br)CCO1	ZINC000263506494	532628534	/nfs/dbraw/zinc/62/85/34/532628534.db2.gz	MFKKPQHWCMXTLV-ZDUSSCGKSA-N	-1	3	391.693	2.320	10	0		GEAEHM
CN(Cc1cc[nH]n1)Cc1cccc(-c2nc(CCn3cccn3)cc(=O)[n-]2)c1	ZINC000023581318	209175175	/nfs/dbraw/zinc/17/51/75/209175175.db2.gz	WAAZILQGLAUUKG-UHFFFAOYSA-N	-1	3	389.463	2.231	10	0		GEAEHM
CC[C@@H](C)Sc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1cccc(OC)c1	ZINC000004924276	570370652	/nfs/dbraw/zinc/37/06/52/570370652.db2.gz	MBDHSTAQLREJNR-LLVKDONJSA-N	-1	3	387.465	2.134	10	0		GEAEHM
C[C@H](NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCCO1	ZINC000122043249	643648977	/nfs/dbraw/zinc/64/89/77/643648977.db2.gz	AJYJSGGOZRXEFY-GXFFZTMASA-N	-1	3	395.308	2.346	10	0		GEAEHM
O=S(=O)([N-]C[C@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)s1	ZINC000158865841	644164128	/nfs/dbraw/zinc/16/41/28/644164128.db2.gz	RKEIHRNQHKZNSA-AWEZNQCLSA-N	-1	3	386.926	2.099	10	0		GEAEHM
C[C@@H](COCc1ccccc1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1	ZINC000172976557	531976875	/nfs/dbraw/zinc/97/68/75/531976875.db2.gz	HQFODUXBGJQQNR-KBPBESRZSA-N	-1	3	382.507	2.136	10	0		GEAEHM
Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCc4ncnn4C3)s2)cs1	ZINC000120589423	531984883	/nfs/dbraw/zinc/98/48/83/531984883.db2.gz	XTPJOWYMXGZCGA-JTQLQIEISA-N	-1	3	381.508	2.065	10	0		GEAEHM
Cc1csc([C@@H]2CCCN(C(=O)C[N-]S(=O)(=O)c3cccs3)C2)n1	ZINC000173066685	531985163	/nfs/dbraw/zinc/98/51/63/531985163.db2.gz	KKSALGADQUUYTI-GFCCVEGCSA-N	-1	3	385.536	2.198	10	0		GEAEHM
O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H](n2cncn2)C1	ZINC000126169941	532146529	/nfs/dbraw/zinc/14/65/29/532146529.db2.gz	RJEUUKIKPKUGNT-LBPRGKRZSA-N	-1	3	380.246	2.293	10	0		GEAEHM
Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](c1cccs1)N1CCO[C@@H](C)C1	ZINC000248369967	532551280	/nfs/dbraw/zinc/55/12/80/532551280.db2.gz	WWGXRFLPGOBLKP-FZMZJTMJSA-N	-1	3	385.511	2.093	10	0		GEAEHM
CN(CC(=O)[O-])C[C@H]1CN(C(=O)CCSc2ccccc2Cl)CCO1	ZINC000262874525	532604890	/nfs/dbraw/zinc/60/48/90/532604890.db2.gz	DNFJBXTUYPCQLS-ZDUSSCGKSA-N	-1	3	386.901	2.066	10	0		GEAEHM
O=C([O-])CN1CCN(c2cc(-c3ccccc3)nc(-c3ccncc3)n2)CC1	ZINC000073685579	527611104	/nfs/dbraw/zinc/61/11/04/527611104.db2.gz	PYNZZUCZQFMGTP-UHFFFAOYSA-N	-1	3	375.432	2.412	10	0		GEAEHM
Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1	ZINC000244652032	570694074	/nfs/dbraw/zinc/69/40/74/570694074.db2.gz	GYOQXXIHUAVACS-HLLBOEOZSA-N	-1	3	378.450	2.017	10	0		GEAEHM
COC1(c2nc(-c3cnccn3)no2)CCN(C(=O)c2ccc(C)cc2[O-])CC1	ZINC000583624122	570801907	/nfs/dbraw/zinc/80/19/07/570801907.db2.gz	XUNHDWFAVIZITN-UHFFFAOYSA-N	-1	3	395.419	2.319	10	0		GEAEHM
C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H]1N1CCOCC1	ZINC000126150870	643723041	/nfs/dbraw/zinc/72/30/41/643723041.db2.gz	ZZIXTVIDLAMJSQ-IUODEOHRSA-N	-1	3	398.301	2.017	10	0		GEAEHM
CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000248848734	645541992	/nfs/dbraw/zinc/54/19/92/645541992.db2.gz	AAGUPIVNGKYGOU-MNOVXSKESA-N	-1	3	390.864	2.425	10	0		GEAEHM
Cc1cc(S(=O)(=O)[N-]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)sc1Cl	ZINC000263486135	645666237	/nfs/dbraw/zinc/66/62/37/645666237.db2.gz	MUABNFIXZMUXPS-UHFFFAOYSA-N	-1	3	392.930	2.316	10	0		GEAEHM
Cc1cc(S(=O)(=O)[N-]C2CC([N@H+](CC(=O)[O-])CC3CC3)C2)sc1Cl	ZINC000263486135	645666238	/nfs/dbraw/zinc/66/62/38/645666238.db2.gz	MUABNFIXZMUXPS-UHFFFAOYSA-N	-1	3	392.930	2.316	10	0		GEAEHM
CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1O	ZINC000052004300	531746744	/nfs/dbraw/zinc/74/67/44/531746744.db2.gz	OSBVARMHUXTOIN-NEPJUHHUSA-N	-1	3	378.288	2.430	10	0		GEAEHM
Cc1nc(N)[n-]c(=O)c1CCOC(=O)CCc1cccc(Br)c1	ZINC000078989038	531921893	/nfs/dbraw/zinc/92/18/93/531921893.db2.gz	WEYVIUHETDQDJK-UHFFFAOYSA-N	-1	3	380.242	2.142	10	0		GEAEHM
CNC(=O)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(C)C	ZINC000178923927	532217632	/nfs/dbraw/zinc/21/76/32/532217632.db2.gz	RHUHGVVRBGNGAV-LLVKDONJSA-N	-1	3	383.695	2.151	10	0		GEAEHM
O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCCC[C@@H]1O	ZINC000134130436	532250640	/nfs/dbraw/zinc/25/06/40/532250640.db2.gz	WUJLLPJPXMGMBR-OLZOCXBDSA-N	-1	3	395.308	2.082	10	0		GEAEHM
CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)CC2	ZINC000140829788	532294828	/nfs/dbraw/zinc/29/48/28/532294828.db2.gz	COSOOSYCFIJZKD-LLVKDONJSA-N	-1	3	394.273	2.123	10	0		GEAEHM
C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br	ZINC000282288658	532453911	/nfs/dbraw/zinc/45/39/11/532453911.db2.gz	KLMNCARNMOTCCP-OIBJUYFYSA-N	-1	3	381.679	2.048	10	0		GEAEHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CN(C(C)C)C[C@@H]2C)cc1Cl	ZINC000246163111	532531581	/nfs/dbraw/zinc/53/15/81/532531581.db2.gz	MARYYTQCTPXUIJ-ZUZCIYMTSA-N	-1	3	391.896	2.445	10	0		GEAEHM
CSc1ccc(NC(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)cc1Cl	ZINC000263038792	532612243	/nfs/dbraw/zinc/61/22/43/532612243.db2.gz	LMBJTZWXPZBSSM-GFCCVEGCSA-N	-1	3	387.889	2.311	10	0		GEAEHM
CN(CC(=O)[O-])C[C@@H]1CN(c2ccc3cccc(Br)c3n2)CCO1	ZINC000263432992	532624680	/nfs/dbraw/zinc/62/46/80/532624680.db2.gz	UGCFQRSWYKQITG-CYBMUJFWSA-N	-1	3	394.269	2.219	10	0		GEAEHM
CN(CC(=O)[O-])C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1	ZINC000263516094	532628775	/nfs/dbraw/zinc/62/87/75/532628775.db2.gz	ZXRDHAGYBVCHAS-CYBMUJFWSA-N	-1	3	376.240	2.243	10	0		GEAEHM
CCN(CCN(C)C)c1ncc(NC(=O)c2ccc(OC)cc2)cc1C(=O)[O-]	ZINC000064978679	570623507	/nfs/dbraw/zinc/62/35/07/570623507.db2.gz	JZJLAWIWNQWBCJ-UHFFFAOYSA-N	-1	3	386.452	2.429	10	0		GEAEHM
Cc1ncc(CO)c(-c2nc3c([nH]2)C(=O)NC[C@@H](c2ccc(F)cc2)C3)c1[O-]	ZINC000065386473	570812335	/nfs/dbraw/zinc/81/23/35/570812335.db2.gz	MQOZJXXGZHRLKZ-LBPRGKRZSA-N	-1	3	382.395	2.187	10	0		GEAEHM
CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1	ZINC000185154305	645037706	/nfs/dbraw/zinc/03/77/06/645037706.db2.gz	RIJJSAKUFRFWAL-GHMZBOCLSA-N	-1	3	390.864	2.425	10	0		GEAEHM
CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1	ZINC000185154323	645037767	/nfs/dbraw/zinc/03/77/67/645037767.db2.gz	RIJJSAKUFRFWAL-WDEREUQCSA-N	-1	3	390.864	2.425	10	0		GEAEHM
CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1	ZINC000262495385	645633623	/nfs/dbraw/zinc/63/36/23/645633623.db2.gz	ZJDNGDFBDOMWCI-UHFFFAOYSA-N	-1	3	381.281	2.209	10	0		GEAEHM
CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1	ZINC000262495385	645633626	/nfs/dbraw/zinc/63/36/26/645633626.db2.gz	ZJDNGDFBDOMWCI-UHFFFAOYSA-N	-1	3	381.281	2.209	10	0		GEAEHM
C[C@@H](COCc1ccccc1)NC(=O)CC[N-]S(=O)(=O)c1cccs1	ZINC000172966048	531975835	/nfs/dbraw/zinc/97/58/35/531975835.db2.gz	PCLOIVNZMKENIZ-AWEZNQCLSA-N	-1	3	382.507	2.138	10	0		GEAEHM
Cc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000176213369	532129940	/nfs/dbraw/zinc/12/99/40/532129940.db2.gz	YRJNWJVRYHYDAH-GFCCVEGCSA-N	-1	3	379.404	2.033	10	0		GEAEHM
COCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl	ZINC000129398349	532177642	/nfs/dbraw/zinc/17/76/42/532177642.db2.gz	KXAXHYRHSAGHSF-LBPRGKRZSA-N	-1	3	388.852	2.339	10	0		GEAEHM
CNC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(C)C	ZINC000178924096	532217990	/nfs/dbraw/zinc/21/79/90/532217990.db2.gz	YEUWULFUROHAQM-LLVKDONJSA-N	-1	3	383.695	2.151	10	0		GEAEHM
C[C@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)[C@@H]1CCCO1	ZINC000179907864	532250247	/nfs/dbraw/zinc/25/02/47/532250247.db2.gz	IHFGTYCMKHOLAJ-JSGCOSHPSA-N	-1	3	388.555	2.299	10	0		GEAEHM
CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)CC2	ZINC000140829973	532294936	/nfs/dbraw/zinc/29/49/36/532294936.db2.gz	COSOOSYCFIJZKD-NSHDSACASA-N	-1	3	394.273	2.123	10	0		GEAEHM
CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1	ZINC000151058934	532306135	/nfs/dbraw/zinc/30/61/35/532306135.db2.gz	IVWVDYDHBIPDCJ-CYBMUJFWSA-N	-1	3	386.279	2.078	10	0		GEAEHM
CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)c1cccc(Cl)c1	ZINC000195048980	532465964	/nfs/dbraw/zinc/46/59/64/532465964.db2.gz	KNYVSUGEBCHEOJ-NSHDSACASA-N	-1	3	388.898	2.288	10	0		GEAEHM
CCSc1cc(Cl)ccc1C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1	ZINC000263139708	532617178	/nfs/dbraw/zinc/61/71/78/532617178.db2.gz	MLKMZVYOLYABPZ-CYBMUJFWSA-N	-1	3	386.901	2.309	10	0		GEAEHM
C[C@@H](Sc1ccccc1Cl)C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1	ZINC000262973449	532609599	/nfs/dbraw/zinc/60/95/99/532609599.db2.gz	SGIRSBNRGLTEDJ-CHWSQXEVSA-N	-1	3	386.901	2.064	10	0		GEAEHM
CN(CC(=O)[O-])C[C@@H]1CN(Cc2ccc(Cl)c(Br)c2)CCO1	ZINC000263529592	532630616	/nfs/dbraw/zinc/63/06/16/532630616.db2.gz	VTQAYRXKBJHTBX-GFCCVEGCSA-N	-1	3	391.693	2.320	10	0		GEAEHM
Cc1cc(N2CCC(Cn3cc(CN)nn3)CC2)nc(-c2ccccc2[O-])n1	ZINC000048233954	570656214	/nfs/dbraw/zinc/65/62/14/570656214.db2.gz	WYMFRAQIYUGGAU-UHFFFAOYSA-N	-1	3	379.468	2.124	10	0		GEAEHM
CCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1	ZINC000104737694	643189735	/nfs/dbraw/zinc/18/97/35/643189735.db2.gz	PZNKOVYZXWGGSO-LLVKDONJSA-N	-1	3	377.869	2.200	10	0		GEAEHM
CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1sccc1Br	ZINC000157049453	644127830	/nfs/dbraw/zinc/12/78/30/644127830.db2.gz	RXVGVTAYKYHKFI-VIFPVBQESA-N	-1	3	391.316	2.478	10	0		GEAEHM
CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl	ZINC000185154574	645037736	/nfs/dbraw/zinc/03/77/36/645037736.db2.gz	FACGGMBNTLJYKJ-WDEREUQCSA-N	-1	3	390.864	2.425	10	0		GEAEHM
CN(C)C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CCO1	ZINC000176298199	532133155	/nfs/dbraw/zinc/13/31/55/532133155.db2.gz	SSDLGRCQRLORBY-SNVBAGLBSA-N	-1	3	377.666	2.211	10	0		GEAEHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCCC[C@H]1O	ZINC000136013839	532282053	/nfs/dbraw/zinc/28/20/53/532282053.db2.gz	NBORLGBBVLHDSW-VXGBXAGGSA-N	-1	3	378.288	2.430	10	0		GEAEHM
CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1	ZINC000248888087	532557268	/nfs/dbraw/zinc/55/72/68/532557268.db2.gz	RIJJSAKUFRFWAL-MNOVXSKESA-N	-1	3	390.864	2.425	10	0		GEAEHM
CN(CC(=O)[O-])C[C@@H]1CN(c2ccnc3c(Br)cccc23)CCO1	ZINC000263439308	532625632	/nfs/dbraw/zinc/62/56/32/532625632.db2.gz	WKTDRTDHXBFSFI-GFCCVEGCSA-N	-1	3	394.269	2.219	10	0		GEAEHM
C[C@@H]1COC[C@H](C)N1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl	ZINC000155113707	644065354	/nfs/dbraw/zinc/06/53/54/644065354.db2.gz	PSFVPSGJEQEKQE-PHIMTYICSA-N	-1	3	395.308	2.298	10	0		GEAEHM
O=C([O-])C[N@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1	ZINC000263461154	645665619	/nfs/dbraw/zinc/66/56/19/645665619.db2.gz	DPZRDCYNYZIAAZ-UHFFFAOYSA-N	-1	3	390.864	2.085	10	0		GEAEHM
O=C([O-])C[N@@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1	ZINC000263461154	645665620	/nfs/dbraw/zinc/66/56/20/645665620.db2.gz	DPZRDCYNYZIAAZ-UHFFFAOYSA-N	-1	3	390.864	2.085	10	0		GEAEHM
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCO2)s1	ZINC000093907568	531928473	/nfs/dbraw/zinc/92/84/73/531928473.db2.gz	AOWILTVNCDQJAA-HIFRSBDPSA-N	-1	3	388.555	2.299	10	0		GEAEHM
CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2COc3ccccc32)c1	ZINC000121739134	532044976	/nfs/dbraw/zinc/04/49/76/532044976.db2.gz	SCTKMIPYYRSLBH-AWEZNQCLSA-N	-1	3	380.853	2.454	10	0		GEAEHM
CNC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Br)C(C)C	ZINC000180856638	532283869	/nfs/dbraw/zinc/28/38/69/532283869.db2.gz	HUKGOGTWCMADIY-GFCCVEGCSA-N	-1	3	397.722	2.293	10	0		GEAEHM
CCC1CCC(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1	ZINC000135433869	532273138	/nfs/dbraw/zinc/27/31/38/532273138.db2.gz	HOFDFUFITILQSK-UHFFFAOYSA-N	-1	3	378.491	2.444	10	0		GEAEHM
C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl	ZINC000282669529	532486097	/nfs/dbraw/zinc/48/60/97/532486097.db2.gz	VYQDVCYOCUGBOE-OIBJUYFYSA-N	-1	3	381.679	2.048	10	0		GEAEHM
CN(CC(=O)[O-])C[C@H]1CN(c2nnc(-c3ccccc3Cl)s2)CCO1	ZINC000263446130	532627134	/nfs/dbraw/zinc/62/71/34/532627134.db2.gz	YSEWGRKLEPURNK-NSHDSACASA-N	-1	3	382.873	2.080	10	0		GEAEHM
COc1ccc([C@@H](C)NS(=O)(=O)c2sc3c(c2C(=O)[O-])CCNC3)cc1	ZINC000067954700	222169654	/nfs/dbraw/zinc/16/96/54/222169654.db2.gz	UMZKUDYTUXQYBJ-SNVBAGLBSA-N	-1	3	396.490	2.140	10	0		GEAEHM
C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@@H]1N1CCOCC1	ZINC000126150664	643722956	/nfs/dbraw/zinc/72/29/56/643722956.db2.gz	ZZIXTVIDLAMJSQ-WFASDCNBSA-N	-1	3	398.301	2.017	10	0		GEAEHM
CC(C)c1nnc2n1C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2	ZINC000181723982	644945038	/nfs/dbraw/zinc/94/50/38/644945038.db2.gz	LFCKCKKUBCPJPE-VIFPVBQESA-N	-1	3	390.296	2.397	10	0		GEAEHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)cc1Cl	ZINC000121357061	532025593	/nfs/dbraw/zinc/02/55/93/532025593.db2.gz	WVPQKNKYTOKFFS-HZMBPMFUSA-N	-1	3	378.853	2.267	10	0		GEAEHM
CN(C)CCNC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1	ZINC000179568820	532236179	/nfs/dbraw/zinc/23/61/79/532236179.db2.gz	GQTXPHNBCWKLFT-UHFFFAOYSA-N	-1	3	388.295	2.229	10	0		GEAEHM
CN(CC(=O)[O-])C[C@@H]1CN(Cc2ccc(OC(F)F)c(Cl)c2)CCO1	ZINC000263474902	532625970	/nfs/dbraw/zinc/62/59/70/532625970.db2.gz	FDQGTIVCLAOPEX-GFCCVEGCSA-N	-1	3	378.803	2.159	10	0		GEAEHM
COc1c(Cl)cc(Cl)cc1CN1CCO[C@@H](CN(C)CC(=O)[O-])C1	ZINC000263531461	532629726	/nfs/dbraw/zinc/62/97/26/532629726.db2.gz	WSKLKCIVRJHMAI-ZDUSSCGKSA-N	-1	3	377.268	2.219	10	0		GEAEHM
O=C([O-])Cn1c2ccsc2c(=O)n(C2CCN(Cc3ccccc3)CC2)c1=O	ZINC000073661164	527641527	/nfs/dbraw/zinc/64/15/27/527641527.db2.gz	XXLGVYYLGHRBIG-UHFFFAOYSA-N	-1	3	399.472	2.146	10	0		GEAEHM
CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CO)cc1Cl	ZINC000134036406	532249330	/nfs/dbraw/zinc/24/93/30/532249330.db2.gz	NMAFOANXGBNWOY-GWCFXTLKSA-N	-1	3	378.853	2.267	10	0		GEAEHM
C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1	ZINC000282541913	532475648	/nfs/dbraw/zinc/47/56/48/532475648.db2.gz	NEDFOPUVWSLBGC-CPCISQLKSA-N	-1	3	381.679	2.048	10	0		GEAEHM
CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1	ZINC000248888964	532557401	/nfs/dbraw/zinc/55/74/01/532557401.db2.gz	RIJJSAKUFRFWAL-QWRGUYRKSA-N	-1	3	390.864	2.425	10	0		GEAEHM
CN(CC(=O)[O-])C[C@H]1CN(c2ccnc3cc(Br)ccc32)CCO1	ZINC000263396446	532624826	/nfs/dbraw/zinc/62/48/26/532624826.db2.gz	HTDXZYBEETWXGK-ZDUSSCGKSA-N	-1	3	394.269	2.219	10	0		GEAEHM
CN(CC(=O)[O-])C[C@H]1CN(c2ccnc3ccc(Br)cc32)CCO1	ZINC000263397087	532625270	/nfs/dbraw/zinc/62/52/70/532625270.db2.gz	HWSBKXGQWFUMDQ-ZDUSSCGKSA-N	-1	3	394.269	2.219	10	0		GEAEHM
CN(CC(=O)[O-])C[C@@H]1CN(c2ccnc3ccc(Br)cc32)CCO1	ZINC000263397086	532625568	/nfs/dbraw/zinc/62/55/68/532625568.db2.gz	HWSBKXGQWFUMDQ-CYBMUJFWSA-N	-1	3	394.269	2.219	10	0		GEAEHM
Cc1cc(Br)c(CN2CCO[C@@H](CN(C)CC(=O)[O-])C2)s1	ZINC000263526903	532628084	/nfs/dbraw/zinc/62/80/84/532628084.db2.gz	UKNVMDPKXHGNBP-NSHDSACASA-N	-1	3	377.304	2.036	10	0		GEAEHM
COCc1cc(N2CCN(CC(=O)[O-])CC2)nc(-c2cccc(Cl)c2)n1	ZINC000073685662	522928660	/nfs/dbraw/zinc/92/86/60/522928660.db2.gz	UMJBQODIEIOYAC-UHFFFAOYSA-N	-1	3	376.844	2.150	10	0		GEAEHM
CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000248848743	645542029	/nfs/dbraw/zinc/54/20/29/645542029.db2.gz	AAGUPIVNGKYGOU-QWRGUYRKSA-N	-1	3	390.864	2.425	10	0		GEAEHM
O=S(=O)([N-]C[C@@H]1CCn2ccnc2C1)c1cc(F)ccc1Br	ZINC000328631656	647311611	/nfs/dbraw/zinc/31/16/11/647311611.db2.gz	RFFKSMLVNPNIFA-SNVBAGLBSA-N	-1	3	388.262	2.326	10	0		GEAEHM
CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2COc3ccccc32)c1	ZINC000121738988	532044699	/nfs/dbraw/zinc/04/46/99/532044699.db2.gz	SCTKMIPYYRSLBH-CQSZACIVSA-N	-1	3	380.853	2.454	10	0		GEAEHM
C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1nnc2n1CCCC2	ZINC000121712498	532044054	/nfs/dbraw/zinc/04/40/54/532044054.db2.gz	UBAPPKMMTULNCH-MRVPVSSYSA-N	-1	3	376.269	2.356	10	0		GEAEHM
CC(C)n1ncc2cc(CNCC[N-]S(=O)(=O)c3cccs3)cnc21	ZINC000122157586	532059954	/nfs/dbraw/zinc/05/99/54/532059954.db2.gz	ITSUZNKLYJGZQS-UHFFFAOYSA-N	-1	3	379.511	2.142	10	0		GEAEHM
CN(C)C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CCO1	ZINC000176298214	532132979	/nfs/dbraw/zinc/13/29/79/532132979.db2.gz	SSDLGRCQRLORBY-JTQLQIEISA-N	-1	3	377.666	2.211	10	0		GEAEHM
COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)cc1Cl	ZINC000176747445	532148524	/nfs/dbraw/zinc/14/85/24/532148524.db2.gz	QKCBOHLASVZTPB-JTQLQIEISA-N	-1	3	377.253	2.407	10	0		GEAEHM
O=C(NCC[N-]S(=O)(=O)c1cccs1)[C@H]1C[C@H]1c1ccc(F)c(F)c1	ZINC000133170950	532228366	/nfs/dbraw/zinc/22/83/66/532228366.db2.gz	PWAKNZVDKOINAH-RYUDHWBXSA-N	-1	3	386.445	2.225	10	0		GEAEHM
C[C@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br	ZINC000282288661	532453490	/nfs/dbraw/zinc/45/34/90/532453490.db2.gz	KLMNCARNMOTCCP-XCBNKYQSSA-N	-1	3	381.679	2.048	10	0		GEAEHM
CCc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)cc1	ZINC000195050115	532465892	/nfs/dbraw/zinc/46/58/92/532465892.db2.gz	ZPYNYYRXJAUNDZ-CYBMUJFWSA-N	-1	3	382.507	2.197	10	0		GEAEHM
C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1	ZINC000262899822	532607069	/nfs/dbraw/zinc/60/70/69/532607069.db2.gz	HZVYMSWDHFVRLA-GXTWGEPZSA-N	-1	3	386.901	2.064	10	0		GEAEHM
CN(CC(=O)[O-])C[C@@H]1CN(C(=O)CCSc2ccc(Cl)cc2)CCO1	ZINC000262964227	532609937	/nfs/dbraw/zinc/60/99/37/532609937.db2.gz	QQHIVCSWIQVMPS-CQSZACIVSA-N	-1	3	386.901	2.066	10	0		GEAEHM
CN(CC(=O)[O-])C[C@@H]1CN(Cc2cc(Br)c(Cl)s2)CCO1	ZINC000263515074	532628320	/nfs/dbraw/zinc/62/83/20/532628320.db2.gz	OKZQQBAMUFMFGH-SECBINFHSA-N	-1	3	397.722	2.381	10	0		GEAEHM
Cc1cc(Br)c(CN2CCO[C@H](CN(C)CC(=O)[O-])C2)s1	ZINC000263526902	532628896	/nfs/dbraw/zinc/62/88/96/532628896.db2.gz	UKNVMDPKXHGNBP-LLVKDONJSA-N	-1	3	377.304	2.036	10	0		GEAEHM
O=c1[n-]c(NCCCN2CCN(c3ccccc3F)CC2)nc2c1CCCC2	ZINC000057343121	527440591	/nfs/dbraw/zinc/44/05/91/527440591.db2.gz	NQDWAYFMGQCVIZ-UHFFFAOYSA-N	-1	3	385.487	2.412	10	0		GEAEHM
O=S(=O)([N-]C[C@@H]1CCn2ccnc2C1)c1ccc(Br)s1	ZINC000328629750	647311598	/nfs/dbraw/zinc/31/15/98/647311598.db2.gz	PDJOQYCRZSIYLQ-SECBINFHSA-N	-1	3	376.301	2.248	10	0		GEAEHM
C[C@H](COCc1ccccc1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1	ZINC000172976561	531976335	/nfs/dbraw/zinc/97/63/35/531976335.db2.gz	HQFODUXBGJQQNR-KGLIPLIRSA-N	-1	3	382.507	2.136	10	0		GEAEHM
CN(CC(=O)[O-])C[C@@H]1CN(c2nccc3cc(Br)ccc32)CCO1	ZINC000263432467	532625595	/nfs/dbraw/zinc/62/55/95/532625595.db2.gz	UBLPNQAVIRZBBJ-CQSZACIVSA-N	-1	3	394.269	2.219	10	0		GEAEHM
CSc1ccc(Cl)cc1NC(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1	ZINC000263492729	532627870	/nfs/dbraw/zinc/62/78/70/532627870.db2.gz	PNJGQEAQKZKPRL-GFCCVEGCSA-N	-1	3	387.889	2.311	10	0		GEAEHM
Cc1cc(N2CC[C@H]([N-]S(=O)(=O)Cc3ccccc3F)C2=O)ccc1F	ZINC000065229356	222112590	/nfs/dbraw/zinc/11/25/90/222112590.db2.gz	UBDMOFVVYVIEAP-KRWDZBQOSA-N	-1	3	380.416	2.498	10	0		GEAEHM
Cc1cc(N(C)C)nc(C[N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1	ZINC000224191584	570436552	/nfs/dbraw/zinc/43/65/52/570436552.db2.gz	DFQPDJHJTZXSTD-UHFFFAOYSA-N	-1	3	390.387	2.228	10	0		GEAEHM
CC(C)N1CCN([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)OCc3ccccc3)C2)CC1	ZINC000536957764	570470692	/nfs/dbraw/zinc/47/06/92/570470692.db2.gz	FJIZNOKRRQTMLC-MOPGFXCFSA-N	-1	3	389.496	2.124	10	0		GEAEHM
C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCCO1	ZINC000122043477	643648954	/nfs/dbraw/zinc/64/89/54/643648954.db2.gz	AJYJSGGOZRXEFY-ZWNOBZJWSA-N	-1	3	395.308	2.346	10	0		GEAEHM
CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1	ZINC000185153351	645036923	/nfs/dbraw/zinc/03/69/23/645036923.db2.gz	AAGUPIVNGKYGOU-WDEREUQCSA-N	-1	3	390.864	2.425	10	0		GEAEHM
O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H](Cc1ccccc1)C(F)(F)F	ZINC000168576516	531881698	/nfs/dbraw/zinc/88/16/98/531881698.db2.gz	HSSUHJXMXUNUEY-GFCCVEGCSA-N	-1	3	392.424	2.316	10	0		GEAEHM
C[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1nnc2n1CCCC2	ZINC000121736603	532044576	/nfs/dbraw/zinc/04/45/76/532044576.db2.gz	MFUAFYNILSVFBL-MRVPVSSYSA-N	-1	3	391.316	2.478	10	0		GEAEHM
CN(C)C[C@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CCO1	ZINC000174339855	532062018	/nfs/dbraw/zinc/06/20/18/532062018.db2.gz	QJWMSQRJJLQZGQ-JTQLQIEISA-N	-1	3	377.666	2.211	10	0		GEAEHM
O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H](n2cncn2)C1	ZINC000126170212	532146245	/nfs/dbraw/zinc/14/62/45/532146245.db2.gz	RJEUUKIKPKUGNT-GFCCVEGCSA-N	-1	3	380.246	2.293	10	0		GEAEHM
O=C(NCC[N-]S(=O)(=O)c1cccs1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1	ZINC000133170476	532228321	/nfs/dbraw/zinc/22/83/21/532228321.db2.gz	PWAKNZVDKOINAH-VXGBXAGGSA-N	-1	3	386.445	2.225	10	0		GEAEHM
COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CC(C)C)CN(C)C	ZINC000188223725	532347457	/nfs/dbraw/zinc/34/74/57/532347457.db2.gz	YYIMKQOPTHLNIN-CYBMUJFWSA-N	-1	3	376.906	2.381	10	0		GEAEHM
CN(CC(=O)[O-])C[C@H]1CN(c2nccc3cc(Br)ccc32)CCO1	ZINC000263432466	532625537	/nfs/dbraw/zinc/62/55/37/532625537.db2.gz	UBLPNQAVIRZBBJ-AWEZNQCLSA-N	-1	3	394.269	2.219	10	0		GEAEHM
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1	ZINC000244652033	570694377	/nfs/dbraw/zinc/69/43/77/570694377.db2.gz	GYOQXXIHUAVACS-UXLLHSPISA-N	-1	3	378.450	2.017	10	0		GEAEHM
C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H]1N1CCOCC1	ZINC000126151034	643722978	/nfs/dbraw/zinc/72/29/78/643722978.db2.gz	ZZIXTVIDLAMJSQ-SWLSCSKDSA-N	-1	3	398.301	2.017	10	0		GEAEHM
CCc1nc([C@@H]2CN(C(=O)c3cc(Br)ccc3[O-])CCO2)n[nH]1	ZINC000174644699	644378626	/nfs/dbraw/zinc/37/86/26/644378626.db2.gz	KIRCTMRHXYWGEG-LBPRGKRZSA-N	-1	3	381.230	2.049	10	0		GEAEHM
O=C(CC[N-]S(=O)(=O)c1ccc(Br)s1)NC1CCCC1	ZINC000002602309	531502518	/nfs/dbraw/zinc/50/25/18/531502518.db2.gz	LZQUJCBEXPBMGS-UHFFFAOYSA-N	-1	3	381.317	2.238	10	0		GEAEHM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2	ZINC000159352026	531779929	/nfs/dbraw/zinc/77/99/29/531779929.db2.gz	ASFAOYCWYPJMAF-VIFPVBQESA-N	-1	3	390.296	2.397	10	0		GEAEHM
O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCC[C@@H]1c1cn[nH]c1	ZINC000113894169	531952954	/nfs/dbraw/zinc/95/29/54/531952954.db2.gz	YBYOLMGZTOJXDG-LLVKDONJSA-N	-1	3	388.902	2.157	10	0		GEAEHM
CCN1CCO[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1	ZINC000134703082	532261722	/nfs/dbraw/zinc/26/17/22/532261722.db2.gz	TXCUFICPZPKUMM-NSHDSACASA-N	-1	3	397.722	2.102	10	0		GEAEHM
O=S(=O)([N-]C[C@@H](O)CN1CCCCC1)c1ccc(Cl)c(F)c1Cl	ZINC000188011602	532346250	/nfs/dbraw/zinc/34/62/50/532346250.db2.gz	NGWVXPYZJWSQMZ-SNVBAGLBSA-N	-1	3	385.288	2.258	10	0		GEAEHM
COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCn1cc(C)cn1	ZINC000190672569	532357414	/nfs/dbraw/zinc/35/74/14/532357414.db2.gz	PDYDKHOETQXJDE-CYBMUJFWSA-N	-1	3	387.889	2.237	10	0		GEAEHM
CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cc1	ZINC000195049316	532464455	/nfs/dbraw/zinc/46/44/55/532464455.db2.gz	NIRICRSTTUGRGU-NSHDSACASA-N	-1	3	388.898	2.288	10	0		GEAEHM
C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1	ZINC000282543110	532476286	/nfs/dbraw/zinc/47/62/86/532476286.db2.gz	NEDFOPUVWSLBGC-WRWORJQWSA-N	-1	3	381.679	2.048	10	0		GEAEHM
O=C([O-])C[N@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)C1	ZINC000263487206	532628523	/nfs/dbraw/zinc/62/85/23/532628523.db2.gz	NBVFGIBWMCZMOP-UHFFFAOYSA-N	-1	3	390.864	2.085	10	0		GEAEHM
O=C([O-])C[N@@H+](CC1CC1)C1CC([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)C1	ZINC000263487206	532628526	/nfs/dbraw/zinc/62/85/26/532628526.db2.gz	NBVFGIBWMCZMOP-UHFFFAOYSA-N	-1	3	390.864	2.085	10	0		GEAEHM
Cc1nc(CC(=O)N2CCC[C@@H](C[N-]S(=O)(=O)c3cccs3)C2)cs1	ZINC000015066629	221329535	/nfs/dbraw/zinc/32/95/35/221329535.db2.gz	DHJCTGXWJSGTCP-ZDUSSCGKSA-N	-1	3	399.563	2.273	10	0		GEAEHM
CC(C)N1CCN([C@H]2C[C@H](C(=O)[O-])CN(C(=O)OCc3ccccc3)C2)CC1	ZINC000536957769	570470645	/nfs/dbraw/zinc/47/06/45/570470645.db2.gz	FJIZNOKRRQTMLC-OALUTQOASA-N	-1	3	389.496	2.124	10	0		GEAEHM
CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCO2)s1	ZINC000093907567	531928126	/nfs/dbraw/zinc/92/81/26/531928126.db2.gz	AOWILTVNCDQJAA-ZFWWWQNUSA-N	-1	3	388.555	2.299	10	0		GEAEHM
O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCC[C@H]1c1cn[nH]c1	ZINC000113894170	531952713	/nfs/dbraw/zinc/95/27/13/531952713.db2.gz	YBYOLMGZTOJXDG-NSHDSACASA-N	-1	3	388.902	2.157	10	0		GEAEHM
CN(C)C[C@@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CCO1	ZINC000174339841	532062039	/nfs/dbraw/zinc/06/20/39/532062039.db2.gz	QJWMSQRJJLQZGQ-SNVBAGLBSA-N	-1	3	377.666	2.211	10	0		GEAEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000177002117	532158896	/nfs/dbraw/zinc/15/88/96/532158896.db2.gz	DKOVVSGMEBWTFF-LLVKDONJSA-N	-1	3	389.250	2.302	10	0		GEAEHM
CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1	ZINC000151058990	532306427	/nfs/dbraw/zinc/30/64/27/532306427.db2.gz	IVWVDYDHBIPDCJ-ZDUSSCGKSA-N	-1	3	386.279	2.078	10	0		GEAEHM
CC(C)C(=O)C[N-]S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1	ZINC000185930521	532339224	/nfs/dbraw/zinc/33/92/24/532339224.db2.gz	FHGDIODTTUTLKL-HNNXBMFYSA-N	-1	3	386.901	2.089	10	0		GEAEHM
[O-]c1c(Br)cc(CN[C@@H]2CCOC[C@@H]2O)cc1Br	ZINC000628467537	532469736	/nfs/dbraw/zinc/46/97/36/532469736.db2.gz	XVGOFUVWKLFBER-MNOVXSKESA-N	-1	3	381.064	2.157	10	0		GEAEHM
CN(C)c1cc(Cl)cc(Cl)c1CN1CCO[C@H](CN(C)CC(=O)[O-])C1	ZINC000263517442	532628106	/nfs/dbraw/zinc/62/81/06/532628106.db2.gz	PGYSSVVZZALHDU-CYBMUJFWSA-N	-1	3	390.311	2.277	10	0		GEAEHM
CCCn1c(=O)[nH]nc1SCc1nc2oc(C)c(C(=O)OCC)c2c(=O)[n-]1	ZINC000016097263	221357744	/nfs/dbraw/zinc/35/77/44/221357744.db2.gz	GLCINORVJLDBPZ-UHFFFAOYSA-N	-1	3	393.425	2.001	10	0		GEAEHM
O=C([O-])[C@@H](c1ccc(F)c(CO)c1)N1CCC(CCN2CCCC2=O)CC1	ZINC000095501562	222334422	/nfs/dbraw/zinc/33/44/22/222334422.db2.gz	AISNZLOVPNSTEP-LJQANCHMSA-N	-1	3	378.444	2.168	10	0		GEAEHM
C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1cn(C)nn1	ZINC000720525220	651476366	/nfs/dbraw/zinc/47/63/66/651476366.db2.gz	SJOQEZCTSHSXBG-ZETCQYMHSA-N	-1	3	379.667	2.271	10	0		GEAEHM