smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1cc(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)ccc12	ZINC000217455929	557169364	/nfs/dbraw/zinc/16/93/64/557169364.db2.gz	GSMAEPNSZALJRE-CALCHBBNSA-N	0	0	443.540	4.982	40	70		IJIBRN
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2ccccc2F)cc1	ZINC000218225135	557183138	/nfs/dbraw/zinc/18/31/38/557183138.db2.gz	ZTKIXRAKHKPHTJ-UHFFFAOYSA-N	0	0	432.561	4.559	40	70		IJIBRN
Cc1ccc([C@H](C)NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1C	ZINC000218314745	557192323	/nfs/dbraw/zinc/19/23/23/557192323.db2.gz	GZJCAJXNKWRPSA-FQEVSTJZSA-N	0	0	436.577	4.761	40	70		IJIBRN
C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218488999	557202983	/nfs/dbraw/zinc/20/29/83/557202983.db2.gz	QESGGZISJZPGGN-SECBINFHSA-N	0	0	439.723	4.579	40	70		IJIBRN
COc1ccc(-c2noc(CNC(=O)c3cc4c(ccc5ccccc45)o3)n2)c(OC)c1	ZINC000218501209	557203539	/nfs/dbraw/zinc/20/35/39/557203539.db2.gz	LJJTVVGLHZHAIT-UHFFFAOYSA-N	0	0	429.432	4.583	40	70		IJIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218555917	557206942	/nfs/dbraw/zinc/20/69/42/557206942.db2.gz	JYTLQDOZKDOZPR-YLJYHZDGSA-N	0	0	437.005	4.687	40	70		IJIBRN
O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCCc1ccc(Cl)cc1	ZINC000218651846	557212615	/nfs/dbraw/zinc/21/26/15/557212615.db2.gz	BQLMPAOOCAXGOT-UHFFFAOYSA-N	0	0	442.968	4.531	40	70		IJIBRN
C[C@@H](Sc1ccccc1)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1	ZINC000218064027	557176434	/nfs/dbraw/zinc/17/64/34/557176434.db2.gz	YMAWBRWOMAZXKS-CYBMUJFWSA-N	0	0	432.343	4.638	40	70		IJIBRN
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)CCSc1ccccc1	ZINC000218085416	557176693	/nfs/dbraw/zinc/17/66/93/557176693.db2.gz	NJFXFQASVTZQQF-UHFFFAOYSA-N	0	0	432.343	4.640	40	70		IJIBRN
O=C(NCCCc1ccc(F)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	ZINC000218092921	557176741	/nfs/dbraw/zinc/17/67/41/557176741.db2.gz	QGLHGYOZCKVJTN-SANMLTNESA-N	0	0	448.563	4.963	40	70		IJIBRN
Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(Br)cc3)n2)cc1	ZINC000218199403	557181724	/nfs/dbraw/zinc/18/17/24/557181724.db2.gz	VAZMTSOKIHNXHY-UHFFFAOYSA-N	0	0	446.370	4.699	40	70		IJIBRN
Cc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000218297410	557190623	/nfs/dbraw/zinc/19/06/23/557190623.db2.gz	YSVKKAYKFRAFLF-UHFFFAOYSA-N	0	0	432.561	4.559	40	70		IJIBRN
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1	ZINC000218305077	557191344	/nfs/dbraw/zinc/19/13/44/557191344.db2.gz	QEIAJRBEZOPACD-FQEVSTJZSA-N	0	0	436.577	4.761	40	70		IJIBRN
CC(C)Oc1cccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1	ZINC000218314264	557192375	/nfs/dbraw/zinc/19/23/75/557192375.db2.gz	MXRVWNQEEJPXPY-UHFFFAOYSA-N	0	0	438.549	4.692	40	70		IJIBRN
CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218489699	557203049	/nfs/dbraw/zinc/20/30/49/557203049.db2.gz	MPVSDRIBINFVMT-CYBMUJFWSA-N	0	0	443.396	4.911	40	70		IJIBRN
CSc1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1	ZINC000218488760	557203053	/nfs/dbraw/zinc/20/30/53/557203053.db2.gz	WKZCKVIRUBBGBV-LLVKDONJSA-N	0	0	433.382	4.509	40	70		IJIBRN
CC[C@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218555820	557206976	/nfs/dbraw/zinc/20/69/76/557206976.db2.gz	ZPMJCCSHFGEMID-PXNSSMCTSA-N	0	0	437.005	4.687	40	70		IJIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218555998	557207059	/nfs/dbraw/zinc/20/70/59/557207059.db2.gz	JYTLQDOZKDOZPR-XLIONFOSSA-N	0	0	437.005	4.687	40	70		IJIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)c1	ZINC000218637790	557211724	/nfs/dbraw/zinc/21/17/24/557211724.db2.gz	HZAAFNLOYGCDPM-GOSISDBHSA-N	0	0	449.016	4.868	40	70		IJIBRN
Cc1cc(=O)oc2c(C)c(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)ccc12	ZINC000217475416	557169689	/nfs/dbraw/zinc/16/96/89/557169689.db2.gz	WWVLBBZPMAUHJQ-CALCHBBNSA-N	0	0	429.513	4.646	40	70		IJIBRN
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1	ZINC000218349847	557194161	/nfs/dbraw/zinc/19/41/61/557194161.db2.gz	TUJOAMAHJXKEEY-FQEVSTJZSA-N	0	0	436.577	4.928	40	70		IJIBRN
CCc1cccc(C)c1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218490151	557203046	/nfs/dbraw/zinc/20/30/46/557203046.db2.gz	BZZXAKWBBOWHJL-ZDUSSCGKSA-N	0	0	429.369	4.657	40	70		IJIBRN
COc1ccc(-c2noc(CN(C)C(=O)c3cc4c(ccc5ccccc45)o3)n2)c(OC)c1	ZINC000218502185	557203493	/nfs/dbraw/zinc/20/34/93/557203493.db2.gz	FEVFBJNAPSPOPU-UHFFFAOYSA-N	0	0	443.459	4.925	40	70		IJIBRN
Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCCCC1	ZINC000218504011	557203544	/nfs/dbraw/zinc/20/35/44/557203544.db2.gz	MILHCSNQDDPGII-UHFFFAOYSA-N	0	0	427.353	4.729	40	70		IJIBRN
Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1C	ZINC000218518741	557205208	/nfs/dbraw/zinc/20/52/08/557205208.db2.gz	NHEILHNJBFQFEQ-FQEVSTJZSA-N	0	0	428.598	4.668	40	70		IJIBRN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2C)cc1	ZINC000218603624	557209645	/nfs/dbraw/zinc/20/96/45/557209645.db2.gz	BVSKMGQVQRGXAO-UHFFFAOYSA-N	0	0	440.540	4.606	40	70		IJIBRN
COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Br)(C3)C2	ZINC000217637829	557172606	/nfs/dbraw/zinc/17/26/06/557172606.db2.gz	LVKGHLGEIZLFGS-NOKWSWOQSA-N	0	0	431.330	4.627	40	70		IJIBRN
Cc1ccc(S[C@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1	ZINC000218144223	557180004	/nfs/dbraw/zinc/18/00/04/557180004.db2.gz	DINBGHBNIZUVHO-CYBMUJFWSA-N	0	0	432.343	4.605	40	70		IJIBRN
CCn1c2ccccc2c2cc(NC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)ccc21	ZINC000218233352	557183735	/nfs/dbraw/zinc/18/37/35/557183735.db2.gz	YYNVKGLZVDYWDU-UHFFFAOYSA-N	0	0	435.549	4.528	40	70		IJIBRN
CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1Cl	ZINC000218296824	557190408	/nfs/dbraw/zinc/19/04/08/557190408.db2.gz	YPJWRYZNXBGDOM-UHFFFAOYSA-N	0	0	442.151	4.705	40	70		IJIBRN
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)cc1C	ZINC000218524953	557205873	/nfs/dbraw/zinc/20/58/73/557205873.db2.gz	VCKBCZCMDAQXGU-HXUWFJFHSA-N	0	0	434.989	4.622	40	70		IJIBRN
CC[C@H](NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218560468	557207500	/nfs/dbraw/zinc/20/75/00/557207500.db2.gz	KTTQQAQBMRVEJF-QHCPKHFHSA-N	0	0	430.614	4.734	40	70		IJIBRN
Cc1ccc(N(CCCC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C	ZINC000218560830	557207561	/nfs/dbraw/zinc/20/75/61/557207561.db2.gz	GUUQZGLCRJLZCS-UHFFFAOYSA-N	0	0	444.641	4.722	40	70		IJIBRN
CCc1c(C)c2ccc(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)cc2oc1=O	ZINC000217509220	557170675	/nfs/dbraw/zinc/17/06/75/557170675.db2.gz	QBEXDVVNNUJYMV-CALCHBBNSA-N	0	0	443.540	4.900	40	70		IJIBRN
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)/C=C/c1ccc(Cl)cc1	ZINC000217962991	557174985	/nfs/dbraw/zinc/17/49/85/557174985.db2.gz	XTCWMWKOKNCFLK-JXMROGBWSA-N	0	0	432.705	4.824	40	70		IJIBRN
C[C@H](Sc1ccccc1)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1	ZINC000218064103	557176384	/nfs/dbraw/zinc/17/63/84/557176384.db2.gz	YMAWBRWOMAZXKS-ZDUSSCGKSA-N	0	0	432.343	4.638	40	70		IJIBRN
CC[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(OC)c(OC)c1	ZINC000218198554	557181828	/nfs/dbraw/zinc/18/18/28/557181828.db2.gz	BIXGTSSZKSORTI-KRWDZBQOSA-N	0	0	438.387	4.967	40	70		IJIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1C	ZINC000218310372	557192139	/nfs/dbraw/zinc/19/21/39/557192139.db2.gz	UXBWSASKARQQIA-HXUWFJFHSA-N	0	0	436.577	4.761	40	70		IJIBRN
CN(c1ccccc1C(=O)NCCCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1	ZINC000218347170	557193908	/nfs/dbraw/zinc/19/39/08/557193908.db2.gz	DOYJMTJONPMVNI-UHFFFAOYSA-N	0	0	442.968	4.528	40	70		IJIBRN
C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218488925	557202974	/nfs/dbraw/zinc/20/29/74/557202974.db2.gz	QESGGZISJZPGGN-VIFPVBQESA-N	0	0	439.723	4.579	40	70		IJIBRN
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)c(C)c1	ZINC000218524867	557205773	/nfs/dbraw/zinc/20/57/73/557205773.db2.gz	XKSAWEDWHOPKQQ-FQEVSTJZSA-N	0	0	434.989	4.622	40	70		IJIBRN
COc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(C(C)(C)C)cc3)n2)c(OC)c1	ZINC000218543672	557206472	/nfs/dbraw/zinc/20/64/72/557206472.db2.gz	CCTVNMCQYQETDV-UHFFFAOYSA-N	0	0	437.540	4.643	40	70		IJIBRN
Cc1ccc([C@H](C)NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C	ZINC000218558044	557207329	/nfs/dbraw/zinc/20/73/29/557207329.db2.gz	RMNCEZRKTQHIIE-SFHVURJKSA-N	0	0	437.005	4.689	40	70		IJIBRN
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1C	ZINC000218633159	557211400	/nfs/dbraw/zinc/21/14/00/557211400.db2.gz	BHNHCGOVHVHQKN-HXUWFJFHSA-N	0	0	428.598	4.523	40	70		IJIBRN
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1C	ZINC000218636436	557211751	/nfs/dbraw/zinc/21/17/51/557211751.db2.gz	WJLKRPLPVHHBBC-KRWDZBQOSA-N	0	0	434.989	4.622	40	70		IJIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1c(F)cccc1Cl	ZINC000218206121	557181821	/nfs/dbraw/zinc/18/18/21/557181821.db2.gz	RNIKVKUFHFELMM-UHFFFAOYSA-N	0	0	425.938	4.873	40	70		IJIBRN
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)cc2)cc1	ZINC000218331774	557193575	/nfs/dbraw/zinc/19/35/75/557193575.db2.gz	DTUWTENMJSPQHT-FQEVSTJZSA-N	0	0	436.577	4.928	40	70		IJIBRN
Cc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1Cl	ZINC000218488359	557202965	/nfs/dbraw/zinc/20/29/65/557202965.db2.gz	HVMOGWYHKVAPOP-LLVKDONJSA-N	0	0	435.760	4.748	40	70		IJIBRN
CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)c(C)c1	ZINC000218506584	557203863	/nfs/dbraw/zinc/20/38/63/557203863.db2.gz	NCTNNNVZVHSGEL-QFIPXVFZSA-N	0	0	428.598	4.668	40	70		IJIBRN
Cc1ccc(C(=O)NCCCc2ccccc2Cl)cc1S(=O)(=O)N1CCCCCC1	ZINC000218517699	557205258	/nfs/dbraw/zinc/20/52/58/557205258.db2.gz	OUVPFEOAVWCUPU-UHFFFAOYSA-N	0	0	449.016	4.576	40	70		IJIBRN
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCCc3ccc(F)cc3)ccc2C)cc1	ZINC000218593553	557209302	/nfs/dbraw/zinc/20/93/02/557209302.db2.gz	NICUTJWBUYHAAL-UHFFFAOYSA-N	0	0	440.540	4.606	40	70		IJIBRN
Cc1ccc(C)c(N(CCCC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1	ZINC000218748324	557214164	/nfs/dbraw/zinc/21/41/64/557214164.db2.gz	PGAGCEHOJGAHNZ-UHFFFAOYSA-N	0	0	444.641	4.722	40	70		IJIBRN
C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218472952	557201751	/nfs/dbraw/zinc/20/17/51/557201751.db2.gz	SRLRFCWPVGNROT-MRXNPFEDSA-N	0	0	444.940	4.926	40	70		IJIBRN
C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218472881	557201798	/nfs/dbraw/zinc/20/17/98/557201798.db2.gz	SRLRFCWPVGNROT-INIZCTEOSA-N	0	0	444.940	4.926	40	70		IJIBRN
Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218488176	557203057	/nfs/dbraw/zinc/20/30/57/557203057.db2.gz	AVSBUKNHYTXSMX-LLVKDONJSA-N	0	0	435.760	4.748	40	70		IJIBRN
Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1C	ZINC000218493295	557203300	/nfs/dbraw/zinc/20/33/00/557203300.db2.gz	NQWQWNAOADFRIE-HUUCEWRRSA-N	0	0	443.396	4.642	40	70		IJIBRN
CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)cc1C	ZINC000218506721	557203922	/nfs/dbraw/zinc/20/39/22/557203922.db2.gz	SGRLJPANEAJXFF-JOCHJYFZSA-N	0	0	428.598	4.668	40	70		IJIBRN
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1C	ZINC000218633239	557211471	/nfs/dbraw/zinc/21/14/71/557211471.db2.gz	BHNHCGOVHVHQKN-FQEVSTJZSA-N	0	0	428.598	4.523	40	70		IJIBRN
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Br)(C3)C2	ZINC000217701350	557173349	/nfs/dbraw/zinc/17/33/49/557173349.db2.gz	KMUZEHSMIJMQSZ-ZYKUOIRYSA-N	0	0	445.357	4.935	40	70		IJIBRN
Cc1ccc(SCCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1	ZINC000218151411	557180428	/nfs/dbraw/zinc/18/04/28/557180428.db2.gz	URKBLTPGUJCJCH-UHFFFAOYSA-N	0	0	432.343	4.606	40	70		IJIBRN
O=C(CSCc1c(F)cccc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000218205247	557181860	/nfs/dbraw/zinc/18/18/60/557181860.db2.gz	DOZYCYJIZAKJDQ-UHFFFAOYSA-N	0	0	426.300	4.732	40	70		IJIBRN
CSc1cccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1	ZINC000218313708	557192469	/nfs/dbraw/zinc/19/24/69/557192469.db2.gz	YZLCPTIGRYTMQQ-UHFFFAOYSA-N	0	0	426.563	4.627	40	70		IJIBRN
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@H](C)c2cc(C)ccc2C)cc1	ZINC000218349400	557194125	/nfs/dbraw/zinc/19/41/25/557194125.db2.gz	OCEVOXARSZPCNU-HXUWFJFHSA-N	0	0	436.577	4.928	40	70		IJIBRN
CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)cc1C	ZINC000218506796	557203868	/nfs/dbraw/zinc/20/38/68/557203868.db2.gz	SGRLJPANEAJXFF-QFIPXVFZSA-N	0	0	428.598	4.668	40	70		IJIBRN
Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1S(=O)(=O)N1CCCCCC1	ZINC000218516836	557204960	/nfs/dbraw/zinc/20/49/60/557204960.db2.gz	YTLHNBBLUJIPSO-UHFFFAOYSA-N	0	0	430.570	4.599	40	70		IJIBRN
Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1NS(=O)(=O)c1ccccc1	ZINC000218591398	557208893	/nfs/dbraw/zinc/20/88/93/557208893.db2.gz	ZUIOWNQTKIKVMI-UHFFFAOYSA-N	0	0	438.549	4.513	40	70		IJIBRN
Cc1cc(C(=O)NCc2cccc(OC(C)C)c2)ccc1NS(=O)(=O)c1ccccc1	ZINC000218601242	557209712	/nfs/dbraw/zinc/20/97/12/557209712.db2.gz	MBHDXSNUIQRFDC-UHFFFAOYSA-N	0	0	438.549	4.513	40	70		IJIBRN
CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1	ZINC000218646135	557212104	/nfs/dbraw/zinc/21/21/04/557212104.db2.gz	HIOOGWNPSFMOOV-QGZVFWFLSA-N	0	0	440.590	4.725	40	70		IJIBRN
Cc1ccc(CSCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1	ZINC000218026606	557175836	/nfs/dbraw/zinc/17/58/36/557175836.db2.gz	FEPOTDVNWGRUHM-UHFFFAOYSA-N	0	0	446.370	4.699	40	70		IJIBRN
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCCCCC1	ZINC000218307122	557191619	/nfs/dbraw/zinc/19/16/19/557191619.db2.gz	LBWRSZBPPJNZGX-UHFFFAOYSA-N	0	0	434.989	4.764	40	70		IJIBRN
Cc1ccc(CN(c2ccc(C(=O)NC3CCCCCCC3)cc2)S(C)(=O)=O)cc1	ZINC000218314922	557192307	/nfs/dbraw/zinc/19/23/07/557192307.db2.gz	NPSXIGJMAQXCBK-UHFFFAOYSA-N	0	0	428.598	4.804	40	70		IJIBRN
CC(C)c1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218489877	557202978	/nfs/dbraw/zinc/20/29/78/557202978.db2.gz	HWZRUWBXCAOOFC-CYBMUJFWSA-N	0	0	429.369	4.910	40	70		IJIBRN
Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1	ZINC000218505706	557203934	/nfs/dbraw/zinc/20/39/34/557203934.db2.gz	SXQWPADJHKKRNZ-UHFFFAOYSA-N	0	0	442.581	4.743	40	70		IJIBRN
C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1	ZINC000218527584	557206206	/nfs/dbraw/zinc/20/62/06/557206206.db2.gz	UBMSMRVZAVJGMS-SFHVURJKSA-N	0	0	449.016	4.656	40	70		IJIBRN
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1C	ZINC000218631126	557211115	/nfs/dbraw/zinc/21/11/15/557211115.db2.gz	DKBDDCZONGNTSV-HXUWFJFHSA-N	0	0	428.598	4.668	40	70		IJIBRN
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1C	ZINC000218637957	557211690	/nfs/dbraw/zinc/21/16/90/557211690.db2.gz	KHIUQRREYHROSF-GOSISDBHSA-N	0	0	449.016	4.868	40	70		IJIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1C	ZINC000218305320	557191567	/nfs/dbraw/zinc/19/15/67/557191567.db2.gz	HKFIAWVZRKZDKZ-HXUWFJFHSA-N	0	0	436.577	4.761	40	70		IJIBRN
CC(C)(C)[C@H]1CC[C@](CC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)(n2cccc2)CC1	ZINC000217565005	557171312	/nfs/dbraw/zinc/17/13/12/557171312.db2.gz	HHUBVOMUZLNONT-JLFWUPFSSA-N	0	0	435.612	4.617	40	70		IJIBRN
COc1ccccc1NC(=O)C[C@H]1C(=O)N([C@@H]2CCC[C@@H](C)[C@@H]2C)c2nc3ccccc3n21	ZINC000217810515	557174440	/nfs/dbraw/zinc/17/44/40/557174440.db2.gz	AWIKYMLKYWIXID-FIBVWIARSA-N	0	0	446.551	4.786	40	70		IJIBRN
COc1ccccc1NC(=O)C[C@@H]1C(=O)N([C@H]2CCC[C@@H](C)[C@@H]2C)c2nc3ccccc3n21	ZINC000217810582	557174446	/nfs/dbraw/zinc/17/44/46/557174446.db2.gz	AWIKYMLKYWIXID-HBCLNWRISA-N	0	0	446.551	4.786	40	70		IJIBRN
COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)c(OC)c1	ZINC000217995588	557175171	/nfs/dbraw/zinc/17/51/71/557175171.db2.gz	DFLXNCAJPDHZEV-CYBMUJFWSA-N	0	0	447.944	4.546	40	70		IJIBRN
C[C@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1	ZINC000218075697	557176359	/nfs/dbraw/zinc/17/63/59/557176359.db2.gz	MJLJGYKZXABVJO-AWEZNQCLSA-N	0	0	446.370	4.779	40	70		IJIBRN
Cc1ccc(S[C@@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1	ZINC000218144144	557180013	/nfs/dbraw/zinc/18/00/13/557180013.db2.gz	DINBGHBNIZUVHO-ZDUSSCGKSA-N	0	0	432.343	4.605	40	70		IJIBRN
CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218490083	557203036	/nfs/dbraw/zinc/20/30/36/557203036.db2.gz	BZZXAKWBBOWHJL-CYBMUJFWSA-N	0	0	429.369	4.657	40	70		IJIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1	ZINC000218517539	557205263	/nfs/dbraw/zinc/20/52/63/557205263.db2.gz	LHFXUKJALHCVCL-HXUWFJFHSA-N	0	0	428.598	4.668	40	70		IJIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1	ZINC000218526004	557205878	/nfs/dbraw/zinc/20/58/78/557205878.db2.gz	HROGSIPWAYDALY-QGZVFWFLSA-N	0	0	434.989	4.622	40	70		IJIBRN
CC1(C)C[C@@H](NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c2ccccc2O1	ZINC000218573107	557207975	/nfs/dbraw/zinc/20/79/75/557207975.db2.gz	SKODHYIHUDAHHU-OAQYLSRUSA-N	0	0	436.533	4.520	40	70		IJIBRN
Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCCc1ccccc1Cl	ZINC000218583705	557208627	/nfs/dbraw/zinc/20/86/27/557208627.db2.gz	HQTSOZATNVAEJB-UHFFFAOYSA-N	0	0	442.968	4.812	40	70		IJIBRN
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccc(C)c(C)c1	ZINC000218627013	557210650	/nfs/dbraw/zinc/21/06/50/557210650.db2.gz	IOPKDQCPFLFYJZ-QHCPKHFHSA-N	0	0	428.598	4.668	40	70		IJIBRN
COc1ccc(CNC(=O)CSCc2c(Cl)cccc2Cl)c(OC)c1OC	ZINC000218152760	557180485	/nfs/dbraw/zinc/18/04/85/557180485.db2.gz	MBTPGFRFFNWNQX-UHFFFAOYSA-N	0	0	430.353	4.569	40	70		IJIBRN
CC[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(OC)c(OC)c1	ZINC000218198486	557181707	/nfs/dbraw/zinc/18/17/07/557181707.db2.gz	BIXGTSSZKSORTI-QGZVFWFLSA-N	0	0	438.387	4.967	40	70		IJIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1	ZINC000218305032	557191266	/nfs/dbraw/zinc/19/12/66/557191266.db2.gz	QEIAJRBEZOPACD-HXUWFJFHSA-N	0	0	436.577	4.761	40	70		IJIBRN
Cc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1C	ZINC000218305368	557191727	/nfs/dbraw/zinc/19/17/27/557191727.db2.gz	HKFIAWVZRKZDKZ-FQEVSTJZSA-N	0	0	436.577	4.761	40	70		IJIBRN
C[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000218493644	557203283	/nfs/dbraw/zinc/20/32/83/557203283.db2.gz	IZOLFSLBJVALBV-MRXNPFEDSA-N	0	0	446.931	4.552	40	70		IJIBRN
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cccc(OC(C)C)c3)c2)cc1	ZINC000218574923	557208152	/nfs/dbraw/zinc/20/81/52/557208152.db2.gz	FKTPNBKHHPNSNS-UHFFFAOYSA-N	0	0	438.549	4.513	40	70		IJIBRN
Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCCc1ccc(Cl)cc1	ZINC000218583794	557208720	/nfs/dbraw/zinc/20/87/20/557208720.db2.gz	UQNZCFZPFPFAKH-UHFFFAOYSA-N	0	0	442.968	4.812	40	70		IJIBRN
COc1ccc(-c2noc(CNC(=O)c3ccc(CSc4ccccc4)cc3)n2)cc1	ZINC000218002778	557175492	/nfs/dbraw/zinc/17/54/92/557175492.db2.gz	ZQSVZYQGKZCRFC-UHFFFAOYSA-N	0	0	431.517	4.968	40	70		IJIBRN
Cc1ccc(OCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1	ZINC000218093177	557176732	/nfs/dbraw/zinc/17/67/32/557176732.db2.gz	GPGIKXQSQGBULY-AREMUKBSSA-N	0	0	446.572	4.578	40	70		IJIBRN
Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1C	ZINC000218493385	557203253	/nfs/dbraw/zinc/20/32/53/557203253.db2.gz	NQWQWNAOADFRIE-LSDHHAIUSA-N	0	0	443.396	4.642	40	70		IJIBRN
CC(C)Oc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1	ZINC000218491069	557203266	/nfs/dbraw/zinc/20/32/66/557203266.db2.gz	OYVIHRLTUXAUIG-ZDUSSCGKSA-N	0	0	445.368	4.574	40	70		IJIBRN
O=C(NCCCc1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1	ZINC000218572407	557208056	/nfs/dbraw/zinc/20/80/56/557208056.db2.gz	HPWPEVICEUZNTN-UHFFFAOYSA-N	0	0	428.941	4.503	40	70		IJIBRN
COc1ccc(-c2noc(CN(C)C(=O)/C(=C/c3ccco3)c3ccccc3)n2)c(OC)c1	ZINC000218108122	557177120	/nfs/dbraw/zinc/17/71/20/557177120.db2.gz	SQKLYZXCXVKCAU-KGENOOAVSA-N	0	0	445.475	4.546	40	70		IJIBRN
CN(c1ccc(C(=O)NCCCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	ZINC000218303559	557191328	/nfs/dbraw/zinc/19/13/28/557191328.db2.gz	BNTQSKCGNKRMMX-UHFFFAOYSA-N	0	0	442.968	4.528	40	70		IJIBRN
CC(C)Oc1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1	ZINC000218491178	557203275	/nfs/dbraw/zinc/20/32/75/557203275.db2.gz	DUBVNLBSIKEIBR-CYBMUJFWSA-N	0	0	445.368	4.574	40	70		IJIBRN
CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)c(C)c1	ZINC000218506498	557203859	/nfs/dbraw/zinc/20/38/59/557203859.db2.gz	NCTNNNVZVHSGEL-JOCHJYFZSA-N	0	0	428.598	4.668	40	70		IJIBRN
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1	ZINC000218517618	557205229	/nfs/dbraw/zinc/20/52/29/557205229.db2.gz	LHFXUKJALHCVCL-FQEVSTJZSA-N	0	0	428.598	4.668	40	70		IJIBRN
O=C(NCCCc1ccccc1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1	ZINC000218572284	557207891	/nfs/dbraw/zinc/20/78/91/557207891.db2.gz	CEOCCMIFONHLFN-UHFFFAOYSA-N	0	0	428.941	4.503	40	70		IJIBRN
Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccccc1	ZINC000218591724	557209000	/nfs/dbraw/zinc/20/90/00/557209000.db2.gz	PDRMOGFIRCXXAH-UHFFFAOYSA-N	0	0	442.968	4.812	40	70		IJIBRN
Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCc1ccc(Cl)cc1	ZINC000218630316	557211204	/nfs/dbraw/zinc/21/12/04/557211204.db2.gz	UENKGIACJHZCED-UHFFFAOYSA-N	0	0	449.016	4.576	40	70		IJIBRN
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C)c1ccc(C)cc1C	ZINC000218633528	557211398	/nfs/dbraw/zinc/21/13/98/557211398.db2.gz	BMSDALZWQMWLHY-XMMPIXPASA-N	0	0	442.625	4.914	40	70		IJIBRN
CC(C)c1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1	ZINC000218635998	557211699	/nfs/dbraw/zinc/21/16/99/557211699.db2.gz	RXHKTOZWAYOTJR-UHFFFAOYSA-N	0	0	449.016	4.611	40	70		IJIBRN
Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1	ZINC000218747330	557213780	/nfs/dbraw/zinc/21/37/80/557213780.db2.gz	BJEIXVICJPEJFT-UHFFFAOYSA-N	0	0	444.597	4.810	40	70		IJIBRN
COc1ccc2nn(-c3cc(OCCC[SiH2]C=C(C)C)cc(C(C)(C)C)c3O)nc2c1	ZINC000215852595	557136856	/nfs/dbraw/zinc/13/68/56/557136856.db2.gz	DNPYHJOJVAOLLZ-UHFFFAOYSA-N	0	0	439.632	4.712	40	70		IJIBRN
C[C@H](C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)c1ccc2c(c1)[nH]c1ccc(Cl)cc12	ZINC000217530173	557170666	/nfs/dbraw/zinc/17/06/66/557170666.db2.gz	NLJKTOFSZHHYJC-XYJFISCASA-N	0	0	445.950	4.886	40	70		IJIBRN
COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c(OC)c1	ZINC000217909741	557174751	/nfs/dbraw/zinc/17/47/51/557174751.db2.gz	GIURMMIMWRZKPK-WEVVVXLNSA-N	0	0	448.306	4.732	40	70		IJIBRN
CCOc1ccccc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1	ZINC000218224637	557183162	/nfs/dbraw/zinc/18/31/62/557183162.db2.gz	BOGGKOVRUGHYLB-UHFFFAOYSA-N	0	0	444.597	4.510	40	70		IJIBRN
CN(c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	ZINC000218303623	557191393	/nfs/dbraw/zinc/19/13/93/557191393.db2.gz	MTNPTTQNCHQAFD-UHFFFAOYSA-N	0	0	442.968	4.528	40	70		IJIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1C	ZINC000218314671	557192490	/nfs/dbraw/zinc/19/24/90/557192490.db2.gz	GZJCAJXNKWRPSA-HXUWFJFHSA-N	0	0	436.577	4.761	40	70		IJIBRN
CC(C)c1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1	ZINC000218407965	557197532	/nfs/dbraw/zinc/19/75/32/557197532.db2.gz	MNHJTIXCOSYMTD-UHFFFAOYSA-N	0	0	436.577	4.973	40	70		IJIBRN
CC(C)c1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218489957	557203015	/nfs/dbraw/zinc/20/30/15/557203015.db2.gz	HWZRUWBXCAOOFC-ZDUSSCGKSA-N	0	0	429.369	4.910	40	70		IJIBRN
Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCCC1	ZINC000218517775	557205182	/nfs/dbraw/zinc/20/51/82/557205182.db2.gz	UOJAMJDAGWFKSY-UHFFFAOYSA-N	0	0	449.016	4.576	40	70		IJIBRN
CC[C@@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218555594	557206900	/nfs/dbraw/zinc/20/69/00/557206900.db2.gz	ZPMJCCSHFGEMID-YLJYHZDGSA-N	0	0	437.005	4.687	40	70		IJIBRN
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc(C)c(C)c1	ZINC000218635547	557211785	/nfs/dbraw/zinc/21/17/85/557211785.db2.gz	NRSZKZHXOPFDAQ-OAQYLSRUSA-N	0	0	434.989	4.622	40	70		IJIBRN
O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCCc1ccccc1Cl	ZINC000218651749	557212567	/nfs/dbraw/zinc/21/25/67/557212567.db2.gz	BOHJGBHUZQWSDE-UHFFFAOYSA-N	0	0	442.968	4.531	40	70		IJIBRN
COc1ccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1OC	ZINC000218154939	557180339	/nfs/dbraw/zinc/18/03/39/557180339.db2.gz	VQUIAPVMAZNDHM-UHFFFAOYSA-N	0	0	428.381	4.993	40	70		IJIBRN
Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc(Br)cc3)n2)c1	ZINC000218199298	557181867	/nfs/dbraw/zinc/18/18/67/557181867.db2.gz	LEGFWWAIWRNXKC-UHFFFAOYSA-N	0	0	446.370	4.699	40	70		IJIBRN
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)cc2)cc1	ZINC000218331848	557193527	/nfs/dbraw/zinc/19/35/27/557193527.db2.gz	DTUWTENMJSPQHT-HXUWFJFHSA-N	0	0	436.577	4.928	40	70		IJIBRN
O=C(NCCCc1ccc(F)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1	ZINC000218422742	557198659	/nfs/dbraw/zinc/19/86/59/557198659.db2.gz	VRLHFJFWARWVSK-DEOSSOPVSA-N	0	0	438.524	4.556	40	70		IJIBRN
Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCCCCC1	ZINC000218516408	557204507	/nfs/dbraw/zinc/20/45/07/557204507.db2.gz	NWJPXAHBDBCSGF-UHFFFAOYSA-N	0	0	440.487	4.831	40	70		IJIBRN
Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1S(=O)(=O)N1CCCCCC1	ZINC000218516748	557204684	/nfs/dbraw/zinc/20/46/84/557204684.db2.gz	IBOQEGBCNOLACO-UHFFFAOYSA-N	0	0	430.570	4.599	40	70		IJIBRN
O=C(Nc1ccc(OC2CCCC2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000218634790	557211387	/nfs/dbraw/zinc/21/13/87/557211387.db2.gz	NDMOHENEWNVIDP-UHFFFAOYSA-N	0	0	448.972	4.698	40	70		IJIBRN
COc1ccc(-c2noc(CN(C)C(=O)CCSc3ccc(Cl)cc3)n2)c(OC)c1	ZINC000218091732	557176711	/nfs/dbraw/zinc/17/67/11/557176711.db2.gz	IAUIKBXRIDZTND-UHFFFAOYSA-N	0	0	447.944	4.548	40	70		IJIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1	ZINC000218309989	557192096	/nfs/dbraw/zinc/19/20/96/557192096.db2.gz	ZEHGEVCKTGJFLH-HXUWFJFHSA-N	0	0	436.577	4.761	40	70		IJIBRN
Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218488068	557202986	/nfs/dbraw/zinc/20/29/86/557202986.db2.gz	PLFNVSWSAVKHQG-NSHDSACASA-N	0	0	435.760	4.748	40	70		IJIBRN
Cc1cc(C)c(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)c1	ZINC000218489570	557203003	/nfs/dbraw/zinc/20/30/03/557203003.db2.gz	DXHISOTUTSGQSU-AWEZNQCLSA-N	0	0	429.369	4.712	40	70		IJIBRN
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218487998	557203026	/nfs/dbraw/zinc/20/30/26/557203026.db2.gz	PLFNVSWSAVKHQG-LLVKDONJSA-N	0	0	435.760	4.748	40	70		IJIBRN
CC(C)Oc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1	ZINC000218525770	557205767	/nfs/dbraw/zinc/20/57/67/557205767.db2.gz	IFYRKQLBBOGGEM-UHFFFAOYSA-N	0	0	436.961	4.554	40	70		IJIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218556064	557206948	/nfs/dbraw/zinc/20/69/48/557206948.db2.gz	JYTLQDOZKDOZPR-FXAWDEMLSA-N	0	0	437.005	4.687	40	70		IJIBRN
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCc3ccccc3Cl)c2)cc1	ZINC000218575187	557208162	/nfs/dbraw/zinc/20/81/62/557208162.db2.gz	AXADYVUXGMODRS-UHFFFAOYSA-N	0	0	442.968	4.812	40	70		IJIBRN
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCc3ccc(Cl)cc3)c2)cc1	ZINC000218575277	557208256	/nfs/dbraw/zinc/20/82/56/557208256.db2.gz	YAAXDKGLFDKJQO-UHFFFAOYSA-N	0	0	442.968	4.812	40	70		IJIBRN
Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1cccc(OC(C)C)c1	ZINC000218583418	557208710	/nfs/dbraw/zinc/20/87/10/557208710.db2.gz	NURLXXVANYIOGY-UHFFFAOYSA-N	0	0	438.549	4.513	40	70		IJIBRN
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCc1ccc(C(C)C)cc1	ZINC000218627516	557210782	/nfs/dbraw/zinc/21/07/82/557210782.db2.gz	RACVOIBCKWYSTN-UHFFFAOYSA-N	0	0	442.625	4.656	40	70		IJIBRN
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1C	ZINC000218638040	557211756	/nfs/dbraw/zinc/21/17/56/557211756.db2.gz	KHIUQRREYHROSF-SFHVURJKSA-N	0	0	449.016	4.868	40	70		IJIBRN
CCOc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1OCC	ZINC000217165990	557168194	/nfs/dbraw/zinc/16/81/94/557168194.db2.gz	ITRYKSFDGNGWJH-LSOGNMMWSA-N	0	0	448.519	4.725	40	70		IJIBRN
Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2cccc(C)c2C)cc1	ZINC000218305562	557191760	/nfs/dbraw/zinc/19/17/60/557191760.db2.gz	BTNANBFQZXWEMO-OAQYLSRUSA-N	0	0	436.577	4.685	40	70		IJIBRN
COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O	ZINC000218484359	557202347	/nfs/dbraw/zinc/20/23/47/557202347.db2.gz	IBZPPIINBRQDAZ-OAHLLOKOSA-N	0	0	438.977	4.574	40	70		IJIBRN
O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	ZINC000218525520	557205761	/nfs/dbraw/zinc/20/57/61/557205761.db2.gz	XJNPSFQEAZTYPQ-UHFFFAOYSA-N	0	0	446.878	4.786	40	70		IJIBRN
CC(C)c1ccc(CCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1	ZINC000218574811	557208218	/nfs/dbraw/zinc/20/82/18/557208218.db2.gz	IHJRFFBLMGZEKQ-UHFFFAOYSA-N	0	0	436.577	4.973	40	70		IJIBRN
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccc(C)cc1C	ZINC000218627120	557210654	/nfs/dbraw/zinc/21/06/54/557210654.db2.gz	YOPIHOZVKKBCBL-HSZRJFAPSA-N	0	0	428.598	4.668	40	70		IJIBRN
Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCc1ccccc1Cl	ZINC000218630256	557211165	/nfs/dbraw/zinc/21/11/65/557211165.db2.gz	UNJNONGPJUJILH-UHFFFAOYSA-N	0	0	449.016	4.576	40	70		IJIBRN
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C)c1ccc(C)c(C)c1	ZINC000218633345	557211413	/nfs/dbraw/zinc/21/14/13/557211413.db2.gz	HGVLPKMBZYIYDW-XMMPIXPASA-N	0	0	442.625	4.914	40	70		IJIBRN
CCOc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1OCC	ZINC000217165981	557168209	/nfs/dbraw/zinc/16/82/09/557168209.db2.gz	ITRYKSFDGNGWJH-LFTLAFEGSA-N	0	0	448.519	4.725	40	70		IJIBRN
Cc1ccc(SCCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1	ZINC000218152115	557180522	/nfs/dbraw/zinc/18/05/22/557180522.db2.gz	ITQBEEYGTAVFNC-UHFFFAOYSA-N	0	0	446.370	4.948	40	70		IJIBRN
Cc1ccccc1N(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000218388253	557197142	/nfs/dbraw/zinc/19/71/42/557197142.db2.gz	SEMGMCORHZDZPD-GOSISDBHSA-N	0	0	442.968	4.721	40	70		IJIBRN
O=C(NCCCc1ccc(F)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1	ZINC000218423540	557198592	/nfs/dbraw/zinc/19/85/92/557198592.db2.gz	VRLHFJFWARWVSK-XMMPIXPASA-N	0	0	438.524	4.556	40	70		IJIBRN
CC(C)Oc1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1	ZINC000218491248	557203327	/nfs/dbraw/zinc/20/33/27/557203327.db2.gz	DUBVNLBSIKEIBR-ZDUSSCGKSA-N	0	0	445.368	4.574	40	70		IJIBRN
Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1C	ZINC000218631195	557211061	/nfs/dbraw/zinc/21/10/61/557211061.db2.gz	DKBDDCZONGNTSV-FQEVSTJZSA-N	0	0	428.598	4.668	40	70		IJIBRN
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc(C)c(C)c1	ZINC000218635630	557211703	/nfs/dbraw/zinc/21/17/03/557211703.db2.gz	NRSZKZHXOPFDAQ-NRFANRHFSA-N	0	0	434.989	4.622	40	70		IJIBRN
Cc1ccc(OCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1	ZINC000218093098	557176699	/nfs/dbraw/zinc/17/66/99/557176699.db2.gz	GPGIKXQSQGBULY-SANMLTNESA-N	0	0	446.572	4.578	40	70		IJIBRN
COc1cccc2cc(C(=O)N(C)Cc3nc(-c4cccc(Br)c4)no3)oc21	ZINC000218619963	557210363	/nfs/dbraw/zinc/21/03/63/557210363.db2.gz	NWOSMFXMQLRIST-UHFFFAOYSA-N	0	0	442.269	4.526	40	70		IJIBRN
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C)c1ccc(C)c(C)c1	ZINC000218633428	557211385	/nfs/dbraw/zinc/21/13/85/557211385.db2.gz	HGVLPKMBZYIYDW-DEOSSOPVSA-N	0	0	442.625	4.914	40	70		IJIBRN
Cc1c(Cl)c(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)ccc12	ZINC000217507812	557170704	/nfs/dbraw/zinc/17/07/04/557170704.db2.gz	JQMWBCJTMYGKCL-GASCZTMLSA-N	0	0	449.931	4.991	40	70		IJIBRN
COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O	ZINC000218484295	557202412	/nfs/dbraw/zinc/20/24/12/557202412.db2.gz	IBZPPIINBRQDAZ-HNNXBMFYSA-N	0	0	438.977	4.574	40	70		IJIBRN
Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1C	ZINC000218493451	557203318	/nfs/dbraw/zinc/20/33/18/557203318.db2.gz	NQWQWNAOADFRIE-CABCVRRESA-N	0	0	443.396	4.642	40	70		IJIBRN
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)cc1C	ZINC000218525043	557205792	/nfs/dbraw/zinc/20/57/92/557205792.db2.gz	VCKBCZCMDAQXGU-FQEVSTJZSA-N	0	0	434.989	4.622	40	70		IJIBRN
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1C	ZINC000218526363	557205860	/nfs/dbraw/zinc/20/58/60/557205860.db2.gz	LUMODTXNKLXKHG-KRWDZBQOSA-N	0	0	434.989	4.622	40	70		IJIBRN
CC[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(S(C)(=O)=O)cc1	ZINC000218156715	557180407	/nfs/dbraw/zinc/18/04/07/557180407.db2.gz	PLPQKQSNMCCXGE-GOSISDBHSA-N	0	0	446.421	4.898	40	70		IJIBRN
CC1(C)C[C@H](NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c2ccccc2O1	ZINC000218573142	557208386	/nfs/dbraw/zinc/20/83/86/557208386.db2.gz	SKODHYIHUDAHHU-NRFANRHFSA-N	0	0	436.533	4.520	40	70		IJIBRN
Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1C	ZINC000218636358	557211728	/nfs/dbraw/zinc/21/17/28/557211728.db2.gz	WJLKRPLPVHHBBC-QGZVFWFLSA-N	0	0	434.989	4.622	40	70		IJIBRN
COc1ccccc1NC(=O)C[C@@H]1C(=O)N([C@@H]2CCC[C@@H](C)[C@@H]2C)c2nc3ccccc3n21	ZINC000217810443	557174343	/nfs/dbraw/zinc/17/43/43/557174343.db2.gz	AWIKYMLKYWIXID-IMLKGASGSA-N	0	0	446.551	4.786	40	70		IJIBRN
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Cl)(C3)C2	ZINC000217907154	557174783	/nfs/dbraw/zinc/17/47/83/557174783.db2.gz	LVAJSZIPURXYJK-DWAZAOQOSA-N	0	0	430.932	4.870	40	70		IJIBRN
Cc1ccc([C@H](C)NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1C	ZINC000218310426	557191976	/nfs/dbraw/zinc/19/19/76/557191976.db2.gz	UXBWSASKARQQIA-FQEVSTJZSA-N	0	0	436.577	4.761	40	70		IJIBRN
Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218487845	557203010	/nfs/dbraw/zinc/20/30/10/557203010.db2.gz	YDKRQFYJEGOCBJ-LLVKDONJSA-N	0	0	435.760	4.748	40	70		IJIBRN
CC[C@@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218555736	557206997	/nfs/dbraw/zinc/20/69/97/557206997.db2.gz	ZPMJCCSHFGEMID-FXAWDEMLSA-N	0	0	437.005	4.687	40	70		IJIBRN
CC[C@@H](NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218747953	557213880	/nfs/dbraw/zinc/21/38/80/557213880.db2.gz	OUYNXUOQIRHQBI-JOCHJYFZSA-N	0	0	430.614	4.734	40	70		IJIBRN
C[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)c1ccc2c(c1)[nH]c1ccc(Cl)cc12	ZINC000217530253	557170726	/nfs/dbraw/zinc/17/07/26/557170726.db2.gz	NLJKTOFSZHHYJC-SOLBZPMBSA-N	0	0	445.950	4.886	40	70		IJIBRN
CCOc1ccc(CNC(=O)CSCc2ccc(Br)cc2)cc1OCC	ZINC000218195030	557181573	/nfs/dbraw/zinc/18/15/73/557181573.db2.gz	WGWICIHZHOTALR-UHFFFAOYSA-N	0	0	438.387	4.796	40	70		IJIBRN
Cc1c(Cl)cccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218488253	557202957	/nfs/dbraw/zinc/20/29/57/557202957.db2.gz	AVSBUKNHYTXSMX-NSHDSACASA-N	0	0	435.760	4.748	40	70		IJIBRN
CC[C@@H](NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218560206	557207487	/nfs/dbraw/zinc/20/74/87/557207487.db2.gz	KOMPDLRRLIQJJN-HSZRJFAPSA-N	0	0	430.614	4.734	40	70		IJIBRN
CC[C@H](NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218560293	557207584	/nfs/dbraw/zinc/20/75/84/557207584.db2.gz	KOMPDLRRLIQJJN-QHCPKHFHSA-N	0	0	430.614	4.734	40	70		IJIBRN
CC[C@@H](NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218560394	557207637	/nfs/dbraw/zinc/20/76/37/557207637.db2.gz	KTTQQAQBMRVEJF-HSZRJFAPSA-N	0	0	430.614	4.734	40	70		IJIBRN
CC(C)c1ccc(CCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1	ZINC000218562964	557207875	/nfs/dbraw/zinc/20/78/75/557207875.db2.gz	SWVUHQWEKQKTLF-UHFFFAOYSA-N	0	0	444.641	4.623	40	70		IJIBRN
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCc3ccc(F)cc3)c2C)cc1	ZINC000218585629	557208540	/nfs/dbraw/zinc/20/85/40/557208540.db2.gz	IYTGHSXNJVBFCY-UHFFFAOYSA-N	0	0	440.540	4.606	40	70		IJIBRN
COc1ccccc1NC(=O)C[C@H]1C(=O)N([C@H]2CCC[C@@H](C)[C@@H]2C)c2nc3ccccc3n21	ZINC000217810670	557174458	/nfs/dbraw/zinc/17/44/58/557174458.db2.gz	AWIKYMLKYWIXID-FPSLLJFYSA-N	0	0	446.551	4.786	40	70		IJIBRN
COc1ccc(-c2noc(CNC(=O)CSCc3c(Cl)cccc3Cl)n2)cc1	ZINC000218157074	557180453	/nfs/dbraw/zinc/18/04/53/557180453.db2.gz	ACOKDZZAZZZKGR-UHFFFAOYSA-N	0	0	438.336	4.602	40	70		IJIBRN
COc1cc(CNC(=O)CSCc2ccc(Br)cc2)ccc1OC(C)C	ZINC000218195127	557181592	/nfs/dbraw/zinc/18/15/92/557181592.db2.gz	SQNMCEMYPUCMAZ-UHFFFAOYSA-N	0	0	438.387	4.795	40	70		IJIBRN
CN(c1ccccc1C(=O)NCCCc1ccccc1Cl)S(=O)(=O)c1ccccc1	ZINC000218347074	557193817	/nfs/dbraw/zinc/19/38/17/557193817.db2.gz	JAHUOXVUVDQXTF-UHFFFAOYSA-N	0	0	442.968	4.528	40	70		IJIBRN
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1	ZINC000218349333	557194146	/nfs/dbraw/zinc/19/41/46/557194146.db2.gz	OCEVOXARSZPCNU-FQEVSTJZSA-N	0	0	436.577	4.928	40	70		IJIBRN
CC(C)Oc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1	ZINC000218490983	557203259	/nfs/dbraw/zinc/20/32/59/557203259.db2.gz	OYVIHRLTUXAUIG-CYBMUJFWSA-N	0	0	445.368	4.574	40	70		IJIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1C	ZINC000218518661	557205144	/nfs/dbraw/zinc/20/51/44/557205144.db2.gz	NHEILHNJBFQFEQ-HXUWFJFHSA-N	0	0	428.598	4.668	40	70		IJIBRN
CC(C)c1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1	ZINC000218525263	557205753	/nfs/dbraw/zinc/20/57/53/557205753.db2.gz	YJYHUWMCZHDJDS-UHFFFAOYSA-N	0	0	449.016	4.611	40	70		IJIBRN
O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000218523891	557205758	/nfs/dbraw/zinc/20/57/58/557205758.db2.gz	PIAIEWPOEGPTCA-UHFFFAOYSA-N	0	0	448.972	4.698	40	70		IJIBRN
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc(C)cc1C	ZINC000218635724	557211693	/nfs/dbraw/zinc/21/16/93/557211693.db2.gz	LIOXMOQWSNGFFY-OAQYLSRUSA-N	0	0	434.989	4.622	40	70		IJIBRN
CC[C@@H](NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218748072	557213884	/nfs/dbraw/zinc/21/38/84/557213884.db2.gz	CENKJGBLLWEKPA-JOCHJYFZSA-N	0	0	430.614	4.734	40	70		IJIBRN
CC[C@H](NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218748118	568625858	/nfs/dbraw/zinc/62/58/58/568625858.db2.gz	CENKJGBLLWEKPA-QFIPXVFZSA-N	0	0	430.614	4.734	40	70		IJIBRN
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1	ZINC000218310070	557192144	/nfs/dbraw/zinc/19/21/44/557192144.db2.gz	ZEHGEVCKTGJFLH-FQEVSTJZSA-N	0	0	436.577	4.761	40	70		IJIBRN
CC[C@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C	ZINC000218556149	557207256	/nfs/dbraw/zinc/20/72/56/557207256.db2.gz	JYTLQDOZKDOZPR-PXNSSMCTSA-N	0	0	437.005	4.687	40	70		IJIBRN
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(OC2CCCC2)cc1	ZINC000218625995	557210644	/nfs/dbraw/zinc/21/06/44/557210644.db2.gz	BSVDBUNLZWYDQW-UHFFFAOYSA-N	0	0	442.581	4.743	40	70		IJIBRN
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccc(C)c(C)c1	ZINC000218626913	557210731	/nfs/dbraw/zinc/21/07/31/557210731.db2.gz	IOPKDQCPFLFYJZ-HSZRJFAPSA-N	0	0	428.598	4.668	40	70		IJIBRN
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C)c1ccc(C)cc1C	ZINC000218633611	557211477	/nfs/dbraw/zinc/21/14/77/557211477.db2.gz	BMSDALZWQMWLHY-DEOSSOPVSA-N	0	0	442.625	4.914	40	70		IJIBRN
COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c(OC)c1	ZINC000217955949	557175109	/nfs/dbraw/zinc/17/51/09/557175109.db2.gz	UKUDRNJHIIONED-NTEUORMPSA-N	0	0	435.524	4.723	40	70		IJIBRN
O=C(CSCc1ccc(Br)cc1)NCCCN1CCCc2ccccc21	ZINC000218199799	557181880	/nfs/dbraw/zinc/18/18/80/557181880.db2.gz	YTXYYBHDKNVGFB-UHFFFAOYSA-N	0	0	433.415	4.641	40	70		IJIBRN
Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218487901	557202997	/nfs/dbraw/zinc/20/29/97/557202997.db2.gz	YDKRQFYJEGOCBJ-NSHDSACASA-N	0	0	435.760	4.748	40	70		IJIBRN
Cc1ccc(N(CCCC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1C	ZINC000218559252	557207589	/nfs/dbraw/zinc/20/75/89/557207589.db2.gz	PNADGEFABMMPBR-UHFFFAOYSA-N	0	0	444.597	4.810	40	70		IJIBRN
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccc(C)cc1C	ZINC000218627208	557210638	/nfs/dbraw/zinc/21/06/38/557210638.db2.gz	YOPIHOZVKKBCBL-QHCPKHFHSA-N	0	0	428.598	4.668	40	70		IJIBRN
O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(Cl)cc1Cl	ZINC000217857146	557174338	/nfs/dbraw/zinc/17/43/38/557174338.db2.gz	NKCWEVKOFOJCME-UHFFFAOYSA-N	0	0	427.085	4.736	40	70		IJIBRN
C[C@@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1	ZINC000218075601	557176458	/nfs/dbraw/zinc/17/64/58/557176458.db2.gz	MJLJGYKZXABVJO-CQSZACIVSA-N	0	0	446.370	4.779	40	70		IJIBRN
CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1	ZINC000218297135	557190657	/nfs/dbraw/zinc/19/06/57/557190657.db2.gz	GFAWAARAIYKQNT-UHFFFAOYSA-N	0	0	442.151	4.705	40	70		IJIBRN
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(C)c(C)c1	ZINC000218524779	557205756	/nfs/dbraw/zinc/20/57/56/557205756.db2.gz	XKSAWEDWHOPKQQ-HXUWFJFHSA-N	0	0	434.989	4.622	40	70		IJIBRN
CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc(C)cc1C	ZINC000218635803	557211714	/nfs/dbraw/zinc/21/17/14/557211714.db2.gz	LIOXMOQWSNGFFY-NRFANRHFSA-N	0	0	434.989	4.622	40	70		IJIBRN
COc1ccc(-c2noc(CN(C)C(=O)c3ccc(-c4ccccc4)cc3)n2)c(OC)c1	ZINC000218167026	557180893	/nfs/dbraw/zinc/18/08/93/557180893.db2.gz	WDWSQNPWAPXZQF-UHFFFAOYSA-N	0	0	429.476	4.693	40	70		IJIBRN
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1	ZINC000218349910	557194197	/nfs/dbraw/zinc/19/41/97/557194197.db2.gz	TUJOAMAHJXKEEY-HXUWFJFHSA-N	0	0	436.577	4.928	40	70		IJIBRN
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1	ZINC000218526070	557205786	/nfs/dbraw/zinc/20/57/86/557205786.db2.gz	HROGSIPWAYDALY-KRWDZBQOSA-N	0	0	434.989	4.622	40	70		IJIBRN
C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1	ZINC000218527664	557206173	/nfs/dbraw/zinc/20/61/73/557206173.db2.gz	UBMSMRVZAVJGMS-GOSISDBHSA-N	0	0	449.016	4.656	40	70		IJIBRN
CC[C@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218555659	557207061	/nfs/dbraw/zinc/20/70/61/557207061.db2.gz	ZPMJCCSHFGEMID-XLIONFOSSA-N	0	0	437.005	4.687	40	70		IJIBRN
CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)/C=C/c1ccccc1Cl	ZINC000217903685	557174778	/nfs/dbraw/zinc/17/47/78/557174778.db2.gz	AXBVIIBVBWTPOK-MDZDMXLPSA-N	0	0	432.705	4.824	40	70		IJIBRN
COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)c(OC)c1	ZINC000217995659	557174971	/nfs/dbraw/zinc/17/49/71/557174971.db2.gz	DFLXNCAJPDHZEV-ZDUSSCGKSA-N	0	0	447.944	4.546	40	70		IJIBRN
COc1cccc(-c2noc(CNC(=O)c3ccc(CSc4ccccc4)cc3)n2)c1	ZINC000218002662	557175395	/nfs/dbraw/zinc/17/53/95/557175395.db2.gz	HXSWSGAHMDASAZ-UHFFFAOYSA-N	0	0	431.517	4.968	40	70		IJIBRN
CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1c(Cl)cccc1Cl	ZINC000218157678	557180828	/nfs/dbraw/zinc/18/08/28/557180828.db2.gz	VKILSKGSNDEZLH-UHFFFAOYSA-N	0	0	428.366	4.997	40	70		IJIBRN
COc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1Cl	ZINC000218313390	557192401	/nfs/dbraw/zinc/19/24/01/557192401.db2.gz	MCHNTFLCOFNNNY-UHFFFAOYSA-N	0	0	444.940	4.567	40	70		IJIBRN
Cc1cc(C)c(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)c1	ZINC000218489497	557202949	/nfs/dbraw/zinc/20/29/49/557202949.db2.gz	DXHISOTUTSGQSU-CQSZACIVSA-N	0	0	429.369	4.712	40	70		IJIBRN
Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1C	ZINC000218493517	557203305	/nfs/dbraw/zinc/20/33/05/557203305.db2.gz	NQWQWNAOADFRIE-GJZGRUSLSA-N	0	0	443.396	4.642	40	70		IJIBRN
Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1Cl	ZINC000218525431	557205820	/nfs/dbraw/zinc/20/58/20/557205820.db2.gz	GVLVSFRRHDUAAL-UHFFFAOYSA-N	0	0	427.353	4.729	40	70		IJIBRN
Cc1ccc([C@@H](C)NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C	ZINC000218557965	557207373	/nfs/dbraw/zinc/20/73/73/557207373.db2.gz	RMNCEZRKTQHIIE-GOSISDBHSA-N	0	0	437.005	4.689	40	70		IJIBRN
Cc1ccc(C(=O)NCCCc2ccccc2Cl)cc1NS(=O)(=O)c1ccccc1	ZINC000218591639	557208884	/nfs/dbraw/zinc/20/88/84/557208884.db2.gz	FHXTVSJCFJHHLV-UHFFFAOYSA-N	0	0	442.968	4.812	40	70		IJIBRN
Cc1cc(C(=O)NCCCc2ccc(Cl)cc2)ccc1NS(=O)(=O)c1ccccc1	ZINC000218601627	557209622	/nfs/dbraw/zinc/20/96/22/557209622.db2.gz	DXUNJSSMCOAFNP-UHFFFAOYSA-N	0	0	442.968	4.812	40	70		IJIBRN
O=C(NCCCc1ccc(F)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	ZINC000218092994	557176708	/nfs/dbraw/zinc/17/67/08/557176708.db2.gz	QGLHGYOZCKVJTN-AREMUKBSSA-N	0	0	448.563	4.963	40	70		IJIBRN
CC[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(S(C)(=O)=O)cc1	ZINC000218156780	557180393	/nfs/dbraw/zinc/18/03/93/557180393.db2.gz	PLPQKQSNMCCXGE-SFHVURJKSA-N	0	0	446.421	4.898	40	70		IJIBRN
CSc1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1	ZINC000218488813	557202953	/nfs/dbraw/zinc/20/29/53/557202953.db2.gz	WKZCKVIRUBBGBV-NSHDSACASA-N	0	0	433.382	4.509	40	70		IJIBRN
Cc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCCCC1	ZINC000218507097	557203928	/nfs/dbraw/zinc/20/39/28/557203928.db2.gz	HQZRZWVQBRQTJC-UHFFFAOYSA-N	0	0	442.625	4.656	40	70		IJIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1C	ZINC000218526284	557205796	/nfs/dbraw/zinc/20/57/96/557205796.db2.gz	LUMODTXNKLXKHG-QGZVFWFLSA-N	0	0	434.989	4.622	40	70		IJIBRN
Cc1cc(C(=O)NCCCc2ccccc2Cl)ccc1NS(=O)(=O)c1ccccc1	ZINC000218601523	557209607	/nfs/dbraw/zinc/20/96/07/557209607.db2.gz	FPASWDSNMIIBED-UHFFFAOYSA-N	0	0	442.968	4.812	40	70		IJIBRN
COc1cccc(-c2noc(CNC(=O)c3ccccc3SCc3ccccc3)n2)c1	ZINC000218609176	557209960	/nfs/dbraw/zinc/20/99/60/557209960.db2.gz	BTFIBPSOUDGEDJ-UHFFFAOYSA-N	0	0	431.517	4.968	40	70		IJIBRN
O=C1C[C@H](N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2)C(=O)N1c1cccc(F)c1	ZINC000217813405	557174266	/nfs/dbraw/zinc/17/42/66/557174266.db2.gz	CYWDRFVTCRMRAZ-OZXSUGGESA-N	0	0	439.490	4.587	40	70		IJIBRN
Cc1ccc(SCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1	ZINC000217979643	557175192	/nfs/dbraw/zinc/17/51/92/557175192.db2.gz	XJJREDHSBCZFRX-UHFFFAOYSA-N	0	0	432.343	4.558	40	70		IJIBRN
Cc1ccccc1CSCC(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1	ZINC000218019897	557175858	/nfs/dbraw/zinc/17/58/58/557175858.db2.gz	ZOPYMGJFLNBAIC-UHFFFAOYSA-N	0	0	446.370	4.699	40	70		IJIBRN
Cc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1Cl	ZINC000218488436	557203032	/nfs/dbraw/zinc/20/30/32/557203032.db2.gz	HVMOGWYHKVAPOP-NSHDSACASA-N	0	0	435.760	4.748	40	70		IJIBRN
CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000218489774	557203043	/nfs/dbraw/zinc/20/30/43/557203043.db2.gz	MPVSDRIBINFVMT-ZDUSSCGKSA-N	0	0	443.396	4.911	40	70		IJIBRN
Cc1ccc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)c1	ZINC000218637867	557211680	/nfs/dbraw/zinc/21/16/80/557211680.db2.gz	HZAAFNLOYGCDPM-SFHVURJKSA-N	0	0	449.016	4.868	40	70		IJIBRN
CC[C@H](NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1	ZINC000218748006	557213820	/nfs/dbraw/zinc/21/38/20/557213820.db2.gz	OUYNXUOQIRHQBI-QFIPXVFZSA-N	0	0	430.614	4.734	40	70		IJIBRN