smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CCC(C(=O)NCc2n[nH]c(=O)[n-]2)CC1	ZINC000161113137	290734202	/nfs/dbraw/zinc/73/42/02/290734202.db2.gz	LKQWHGLWBNKRKO-UHFFFAOYSA-N	-1	0	252.318	0.931	20	70		CCIDRM
CCCc1cc(NCc2n[nH]c(=O)[n-]2)n2ncnc2n1	ZINC000160433860	544700306	/nfs/dbraw/zinc/70/03/06/544700306.db2.gz	QMHJSGCLIYKEEN-UHFFFAOYSA-N	-1	0	274.288	0.100	20	70		CCIDRM
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H](C)C(=O)[O-]	ZINC001594328670	958198945	/nfs/dbraw/zinc/19/89/45/958198945.db2.gz	ZTJKSRJDTKZSAV-ZETCQYMHSA-N	-1	0	289.284	0.856	20	70		CCIDRM
C[C@H](OC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)[O-]	ZINC001593584852	995699470	/nfs/dbraw/zinc/69/94/70/995699470.db2.gz	KBUCTUXGXUDYIB-LURJTMIESA-N	-1	0	276.241	0.975	20	70		CCIDRM
CN(C)S(=O)(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000160231143	389383319	/nfs/dbraw/zinc/38/33/19/389383319.db2.gz	VNLOBGZBXAYFCX-UHFFFAOYSA-N	-1	0	272.252	0.664	20	70		CCIDRM
C[C@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001603152376	972252357	/nfs/dbraw/zinc/25/23/57/972252357.db2.gz	RBHVXILGQGKDMR-ZCFIWIBFSA-N	-1	0	292.288	0.466	20	70		CCIDRM
CC(C)(CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001588757994	961231854	/nfs/dbraw/zinc/23/18/54/961231854.db2.gz	PQDFTVMPGHPKBY-UHFFFAOYSA-N	-1	0	292.288	0.656	20	70		CCIDRM
O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1nc(=O)[nH][n-]1	ZINC000160796601	350706984	/nfs/dbraw/zinc/70/69/84/350706984.db2.gz	GMXNWQRMGCTWLN-SECBINFHSA-N	-1	0	280.328	0.710	20	70		CCIDRM
C[C@@H]1CC[C@@](CCS(=O)(=O)F)(C(=O)[O-])C1=O	ZINC001594305756	999181290	/nfs/dbraw/zinc/18/12/90/999181290.db2.gz	VVQCPDZVDNSIBK-MUWHJKNJSA-N	-1	0	252.263	0.746	20	70		CCIDRM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2nncs2)cc1	ZINC000160573957	350703027	/nfs/dbraw/zinc/70/30/27/350703027.db2.gz	ZPQBOCVYOFMJKC-UHFFFAOYSA-N	-1	0	298.349	0.699	20	70		CCIDRM
Cc1cc(F)cc2c(O)c(C(=O)N[C@H](C)C(N)=O)cnc12	ZINC000160101167	350695306	/nfs/dbraw/zinc/69/53/06/350695306.db2.gz	AUZNBWSCVMLRFG-SSDOTTSWSA-N	-1	0	291.282	0.579	20	70		CCIDRM
CN1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1=O	ZINC000160487456	188476632	/nfs/dbraw/zinc/47/66/32/188476632.db2.gz	IMBTZEKUMDFZGI-VIFPVBQESA-N	-1	0	290.291	0.474	20	70		CCIDRM
CC1(C)C[C@H]1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1	ZINC000160381561	389388074	/nfs/dbraw/zinc/38/80/74/389388074.db2.gz	GFAWJMKIENFMEB-YFKPBYRVSA-N	-1	0	290.370	0.894	20	70		CCIDRM
CN(C)C(=O)CN(C)CC(=O)[N-]OCc1ccccc1	ZINC000161260046	350716733	/nfs/dbraw/zinc/71/67/33/350716733.db2.gz	PPAVKXUKACCBJH-UHFFFAOYSA-N	-1	0	279.340	0.254	20	70		CCIDRM
Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H](C)C(=O)[O-]	ZINC001605220014	972969609	/nfs/dbraw/zinc/96/96/09/972969609.db2.gz	ZTJKSRJDTKZSAV-SSDOTTSWSA-N	-1	0	289.284	0.856	20	70		CCIDRM
O=C(NCc1csc(-c2ccco2)n1)c1nc(=O)[nH][n-]1	ZINC000160520798	350702232	/nfs/dbraw/zinc/70/22/32/350702232.db2.gz	ZJVXGZGJAOORDT-UHFFFAOYSA-N	-1	0	291.292	0.745	20	70		CCIDRM
C[C@@H]1CC[C@](CCS(=O)(=O)F)(C(=O)[O-])C1=O	ZINC001594305754	999181393	/nfs/dbraw/zinc/18/13/93/999181393.db2.gz	VVQCPDZVDNSIBK-HZGVNTEJSA-N	-1	0	252.263	0.746	20	70		CCIDRM
O=C([N-]S(=O)(=O)c1ccsc1)[C@@H]1CCCOC1	ZINC000159643492	231712895	/nfs/dbraw/zinc/71/28/95/231712895.db2.gz	KWIAIETWOKTFGJ-MRVPVSSYSA-N	-1	0	275.351	0.980	20	70		CCIDRM
C[C@@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001589001012	955324255	/nfs/dbraw/zinc/32/42/55/955324255.db2.gz	ADVYDAKSMHWEQL-YFKPBYRVSA-N	-1	0	278.261	0.266	20	70		CCIDRM
CCC(O)(CC)CNS(=O)(=O)c1cn(C)c(Cl)n1	ZINC000160210006	389383104	/nfs/dbraw/zinc/38/31/04/389383104.db2.gz	ZBADRAOMGOZFIN-UHFFFAOYSA-N	-1	0	295.792	0.903	20	70		CCIDRM
COCCS(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1	ZINC000160255698	389384781	/nfs/dbraw/zinc/38/47/81/389384781.db2.gz	YKGQWMBHDOSJNE-UHFFFAOYSA-N	-1	0	287.263	0.834	20	70		CCIDRM
CCO[C@@H]1C[C@H](N(C)C(=O)c2nc(=O)[nH][n-]2)C12CCC2	ZINC000160536325	350702373	/nfs/dbraw/zinc/70/23/73/350702373.db2.gz	ZBYSTUBCNKDVOI-DTWKUNHWSA-N	-1	0	280.328	0.518	20	70		CCIDRM
O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1nc(=O)[nH][n-]1	ZINC000160611196	350703163	/nfs/dbraw/zinc/70/31/63/350703163.db2.gz	UEQILFVYDMOQGC-IVZWLZJFSA-N	-1	0	256.265	0.166	20	70		CCIDRM
CC[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)[O-]	ZINC001573943189	961624141	/nfs/dbraw/zinc/62/41/41/961624141.db2.gz	HANQTMCZUWLJAX-VIFPVBQESA-N	-1	0	289.284	0.938	20	70		CCIDRM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1ccncn1	ZINC000159657872	350683774	/nfs/dbraw/zinc/68/37/74/350683774.db2.gz	UQTYBHSKLFNGSW-XNPJLODASA-N	-1	0	269.326	0.734	20	70		CCIDRM
CN1C[C@@H](NS(=O)(=O)c2cccs2)CCC1=O	ZINC000160098734	389379827	/nfs/dbraw/zinc/37/98/27/389379827.db2.gz	SFIWFSDRDPDYQT-QMMMGPOBSA-N	-1	0	274.367	0.647	20	70		CCIDRM
CC(=O)C(CCS(=O)(=O)F)(C[C@@H](C)C(=O)[O-])C(C)=O	ZINC001589023161	985021551	/nfs/dbraw/zinc/02/15/51/985021551.db2.gz	MQPJZLFTBVNHQL-SSDOTTSWSA-N	-1	0	296.316	0.951	20	70		CCIDRM
C[C@@H](OC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)[O-]	ZINC001593584861	995699720	/nfs/dbraw/zinc/69/97/20/995699720.db2.gz	KBUCTUXGXUDYIB-ZCFIWIBFSA-N	-1	0	276.241	0.975	20	70		CCIDRM
Cc1nn2c(nnc2SCc2ccnn2C)[nH]c1=O	ZINC000161372225	350719675	/nfs/dbraw/zinc/71/96/75/350719675.db2.gz	HZLXXWAZKAGHPQ-UHFFFAOYSA-N	-1	0	277.313	0.559	20	70		CCIDRM
CCCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001595849090	982779354	/nfs/dbraw/zinc/77/93/54/982779354.db2.gz	NKGXIDUQWQEBLI-UHFFFAOYSA-N	-1	0	292.288	0.610	20	70		CCIDRM
COC(=O)NCC(=O)Nc1n[nH]c(-c2ccc(C)o2)n1	ZINC000160320939	389386710	/nfs/dbraw/zinc/38/67/10/389386710.db2.gz	HITOIFRHWXBDRG-UHFFFAOYSA-N	-1	0	279.256	0.668	20	70		CCIDRM
CC[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001603567068	973694638	/nfs/dbraw/zinc/69/46/38/973694638.db2.gz	MMNNDKWQHWEQLG-LURJTMIESA-N	-1	0	292.288	0.514	20	70		CCIDRM
CCO[C@@H]1C[C@@H](N(C)C(=O)c2nc(=O)[nH][n-]2)C12CCC2	ZINC000160536576	350702362	/nfs/dbraw/zinc/70/23/62/350702362.db2.gz	ZBYSTUBCNKDVOI-RKDXNWHRSA-N	-1	0	280.328	0.518	20	70		CCIDRM
CCCOc1cccc(CCNC(=O)c2nc(=O)[nH][n-]2)c1	ZINC000159727050	350686276	/nfs/dbraw/zinc/68/62/76/350686276.db2.gz	VMZCXHGBSWSGLC-UHFFFAOYSA-N	-1	0	290.323	0.859	20	70		CCIDRM
CNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)SC)co1	ZINC000161376988	350719786	/nfs/dbraw/zinc/71/97/86/350719786.db2.gz	NNFMRCKWNJTRJP-SSDOTTSWSA-N	-1	0	292.382	0.669	20	70		CCIDRM
O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@H]1c1ccco1	ZINC000160220209	389383670	/nfs/dbraw/zinc/38/36/70/389383670.db2.gz	RQBGQXQXNRWGRH-IUCAKERBSA-N	-1	0	277.280	0.541	20	70		CCIDRM
CN(CCC(=O)[O-])C(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001593736420	954340746	/nfs/dbraw/zinc/34/07/46/954340746.db2.gz	SJKPUYJPYPJYAI-UHFFFAOYSA-N	-1	0	278.261	0.220	20	70		CCIDRM
CON(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H](C)C(=O)[O-]	ZINC001594034003	957789990	/nfs/dbraw/zinc/78/99/90/957789990.db2.gz	IXRXTCUOXYXUIQ-YFKPBYRVSA-N	-1	0	294.260	0.150	20	70		CCIDRM
C[C@H](NC(=O)Cc1ccc(O)cc1Cl)C(N)=O	ZINC000160100344	350695202	/nfs/dbraw/zinc/69/52/02/350695202.db2.gz	LVOMTHLHAKGBFB-LURJTMIESA-N	-1	0	256.689	0.578	20	70		CCIDRM
O=C([O-])COC(=O)c1cccc(S(=O)(=O)F)c1	ZINC001595107331	951886090	/nfs/dbraw/zinc/88/60/90/951886090.db2.gz	OUUMXTXPDDAOFY-UHFFFAOYSA-N	-1	0	262.214	0.586	20	70		CCIDRM
CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC001593912739	955984344	/nfs/dbraw/zinc/98/43/44/955984344.db2.gz	NNKMBDVHPFGCGO-MRVPVSSYSA-N	-1	0	291.256	0.383	20	70		CCIDRM
C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001603184579	972287628	/nfs/dbraw/zinc/28/76/28/972287628.db2.gz	FIPZMKBYWLQBRS-RXMQYKEDSA-N	-1	0	278.261	0.123	20	70		CCIDRM
CCC(=O)c1cccc(NC(=O)c2nc(=O)[nH][n-]2)c1	ZINC000160740138	290731516	/nfs/dbraw/zinc/73/15/16/290731516.db2.gz	VRGXSKWMTVGNPI-UHFFFAOYSA-N	-1	0	260.253	0.943	20	70		CCIDRM
COc1cc(C(=O)NCC(=O)[O-])ccc1S(=O)(=O)F	ZINC001594050971	957990171	/nfs/dbraw/zinc/99/01/71/957990171.db2.gz	UVRXEQZMIHNBTD-UHFFFAOYSA-N	-1	0	291.256	0.168	20	70		CCIDRM
CNS(=O)(=O)c1cc(C(=O)NC[C@H](C)SC)co1	ZINC000161376858	350719686	/nfs/dbraw/zinc/71/96/86/350719686.db2.gz	NNFMRCKWNJTRJP-ZETCQYMHSA-N	-1	0	292.382	0.669	20	70		CCIDRM
Cc1ccc(CCNC(=O)C[C@@H]2NC(=O)NC2=O)cc1	ZINC000160211292	389383767	/nfs/dbraw/zinc/38/37/67/389383767.db2.gz	KWPAMOORJBFXMU-NSHDSACASA-N	-1	0	275.308	0.252	20	70		CCIDRM
CO[C@@]1(CNS(=O)(=O)c2ccccc2[O-])CCOC1	ZINC000160831049	544702100	/nfs/dbraw/zinc/70/21/00/544702100.db2.gz	IWBVLYWVSIHOOE-GFCCVEGCSA-N	-1	0	287.337	0.476	20	70		CCIDRM
CS(=O)(=O)[N-]C(=O)[C@@H]1OCCc2ccccc21	ZINC000160018367	389378010	/nfs/dbraw/zinc/37/80/10/389378010.db2.gz	YEYJTBWXWKVKEA-SNVBAGLBSA-N	-1	0	255.295	0.376	20	70		CCIDRM
O=C([O-])CCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001595044770	951437769	/nfs/dbraw/zinc/43/77/69/951437769.db2.gz	GOVNEBROTOPAOA-UHFFFAOYSA-N	-1	0	292.288	0.658	20	70		CCIDRM
C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(S(=O)(=O)F)c1	ZINC001599830540	988666372	/nfs/dbraw/zinc/66/63/72/988666372.db2.gz	CWTVDLPFQARKGY-ZETCQYMHSA-N	-1	0	289.284	0.890	20	70		CCIDRM
CCCCn1ncc(NC(=O)NCc2n[nH]c(=O)[n-]2)c1C	ZINC000159849257	290727198	/nfs/dbraw/zinc/72/71/98/290727198.db2.gz	PJHQKNVONJANNP-UHFFFAOYSA-N	-1	0	293.331	0.725	20	70		CCIDRM
Cc1ccc2c(c1)[C@@H](NC(=O)c1nc(=O)[nH][n-]1)CO2	ZINC000160131776	290728738	/nfs/dbraw/zinc/72/87/38/290728738.db2.gz	PEVVVXXRDVCRFR-QMMMGPOBSA-N	-1	0	260.253	0.270	20	70		CCIDRM
C[C@@H](NC(=O)Cc1ccc(O)cc1Cl)C(N)=O	ZINC000160100455	350695236	/nfs/dbraw/zinc/69/52/36/350695236.db2.gz	LVOMTHLHAKGBFB-ZCFIWIBFSA-N	-1	0	256.689	0.578	20	70		CCIDRM
O=C(CCc1ccc(F)cc1F)NCc1n[nH]c(=O)[n-]1	ZINC000160125324	350696411	/nfs/dbraw/zinc/69/64/11/350696411.db2.gz	YGQIIQHXPCTEDL-UHFFFAOYSA-N	-1	0	282.250	0.625	20	70		CCIDRM
O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1nccs1	ZINC000161169029	389404387	/nfs/dbraw/zinc/40/43/87/389404387.db2.gz	OOXXYKZGVXGPBQ-UHFFFAOYSA-N	-1	0	295.345	0.992	20	70		CCIDRM
C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)F)cc1	ZINC001599830536	988666172	/nfs/dbraw/zinc/66/61/72/988666172.db2.gz	CMNZTNLJNZWGHZ-ZETCQYMHSA-N	-1	0	289.284	0.890	20	70		CCIDRM
O=C(NCc1ccc(OCC2CC2)nc1)c1nc(=O)[nH][n-]1	ZINC000160316282	290729700	/nfs/dbraw/zinc/72/97/00/290729700.db2.gz	XRGXIBGVJZBYRV-UHFFFAOYSA-N	-1	0	289.295	0.212	20	70		CCIDRM
CC(C)[C@@H](NC(=O)c1nc(=O)[nH][n-]1)C(=O)OC(C)(C)C	ZINC000160488745	350702069	/nfs/dbraw/zinc/70/20/69/350702069.db2.gz	YYTFLMZUXDKPIY-SSDOTTSWSA-N	-1	0	284.316	0.194	20	70		CCIDRM
COC(=O)Cc1cccc(NC(=O)c2nc(=O)[nH][n-]2)c1	ZINC000160492150	350702313	/nfs/dbraw/zinc/70/23/13/350702313.db2.gz	HZQIKLSEYPEQHN-UHFFFAOYSA-N	-1	0	276.252	0.066	20	70		CCIDRM
CCO[C@H]1C[C@H](N(C)C(=O)c2nc(=O)[nH][n-]2)C12CCC2	ZINC000160536439	350701775	/nfs/dbraw/zinc/70/17/75/350701775.db2.gz	ZBYSTUBCNKDVOI-IUCAKERBSA-N	-1	0	280.328	0.518	20	70		CCIDRM
O=C(CC1CCSCC1)NCCCc1nc(=O)[nH][nH]1	ZINC000161352706	350719746	/nfs/dbraw/zinc/71/97/46/350719746.db2.gz	BIBHXOQVXNTHOO-UHFFFAOYSA-N	-1	0	284.385	0.680	20	70		CCIDRM
C[C@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001599885702	984633853	/nfs/dbraw/zinc/63/38/53/984633853.db2.gz	NRPLOEFUHUAIQR-RXMQYKEDSA-N	-1	0	278.261	0.218	20	70		CCIDRM
O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]1c1ccco1	ZINC000160220310	389383259	/nfs/dbraw/zinc/38/32/59/389383259.db2.gz	RQBGQXQXNRWGRH-DTWKUNHWSA-N	-1	0	277.280	0.541	20	70		CCIDRM
CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1nc(=O)[nH][n-]1	ZINC000160512417	350702080	/nfs/dbraw/zinc/70/20/80/350702080.db2.gz	MPGMDMZZESDCMR-UHFFFAOYSA-N	-1	0	298.306	0.760	20	70		CCIDRM
O=C(NCCc1cc2ccccc2[nH]1)c1nc(=O)[nH][n-]1	ZINC000159610408	544694669	/nfs/dbraw/zinc/69/46/69/544694669.db2.gz	VIPHXAPCMSYQHM-UHFFFAOYSA-N	-1	0	271.280	0.552	20	70		CCIDRM
CO[C@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)F)cc1	ZINC001593912741	955984317	/nfs/dbraw/zinc/98/43/17/955984317.db2.gz	NNKMBDVHPFGCGO-QMMMGPOBSA-N	-1	0	291.256	0.383	20	70		CCIDRM
C[C@H]1CC[C@](CCS(=O)(=O)F)(C(=O)[O-])C1=O	ZINC001594305755	999181435	/nfs/dbraw/zinc/18/14/35/999181435.db2.gz	VVQCPDZVDNSIBK-IMTBSYHQSA-N	-1	0	252.263	0.746	20	70		CCIDRM
CCNC(=O)CN(CC)CC(=O)[N-]OCc1ccccc1	ZINC000160137212	389381385	/nfs/dbraw/zinc/38/13/85/389381385.db2.gz	QNKQRXQPWDPGGQ-UHFFFAOYSA-N	-1	0	293.367	0.692	20	70		CCIDRM
O=C(NCCNS(=O)(=O)c1ccccc1[O-])C1CC1	ZINC000160861408	544701750	/nfs/dbraw/zinc/70/17/50/544701750.db2.gz	MPDVJPFLQIBKCR-UHFFFAOYSA-N	-1	0	284.337	0.197	20	70		CCIDRM
CCO[C@H]1C[C@@H](N(C)C(=O)c2nc(=O)[nH][n-]2)C12CCC2	ZINC000160536706	290730877	/nfs/dbraw/zinc/73/08/77/290730877.db2.gz	ZBYSTUBCNKDVOI-BDAKNGLRSA-N	-1	0	280.328	0.518	20	70		CCIDRM
O=C(N[C@H]1CCOC2(CCCCC2)C1)c1nc(=O)[nH][n-]1	ZINC000160796732	350707036	/nfs/dbraw/zinc/70/70/36/350707036.db2.gz	GMXNWQRMGCTWLN-VIFPVBQESA-N	-1	0	280.328	0.710	20	70		CCIDRM
COC(=O)c1c(C)nc(=O)[nH]c1SCCn1ccnc1	ZINC000159741576	350686960	/nfs/dbraw/zinc/68/69/60/350686960.db2.gz	CNPBSQHXCPKYOG-UHFFFAOYSA-N	-1	0	294.336	0.854	20	70		CCIDRM
CC(C)C[C@H]1CCCN(C(=O)c2nc(=O)[nH][n-]2)C1	ZINC000161220973	350715951	/nfs/dbraw/zinc/71/59/51/350715951.db2.gz	QPRBXHQREZPLBM-SECBINFHSA-N	-1	0	252.318	0.996	20	70		CCIDRM
Cn1nccc1C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000159986517	389377387	/nfs/dbraw/zinc/37/73/87/389377387.db2.gz	BDDUERDMUGOIIH-UHFFFAOYSA-N	-1	0	271.342	0.812	20	70		CCIDRM
CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001589435091	954681469	/nfs/dbraw/zinc/68/14/69/954681469.db2.gz	BNOFUPAIEJGYAZ-QMMMGPOBSA-N	-1	0	292.288	0.608	20	70		CCIDRM
O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)c1cn[nH]c1	ZINC000160218562	389383492	/nfs/dbraw/zinc/38/34/92/389383492.db2.gz	NZMHLEDYFHULFY-UHFFFAOYSA-N	-1	0	295.246	0.969	20	70		CCIDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C1(C)CC1	ZINC000161089372	389404281	/nfs/dbraw/zinc/40/42/81/389404281.db2.gz	VQKYFAPRYHITKB-UHFFFAOYSA-N	-1	0	258.299	0.896	20	70		CCIDRM
O=C([O-])CNC(=O)c1cc(S(=O)(=O)F)ccc1Cl	ZINC001595103486	951873949	/nfs/dbraw/zinc/87/39/49/951873949.db2.gz	OYFBQOLOCUGNJQ-UHFFFAOYSA-N	-1	0	295.675	0.813	20	70		CCIDRM
O=C(c1nc(=O)[nH][n-]1)N1CCOC2(C1)CCCCCC2	ZINC000160478866	290730082	/nfs/dbraw/zinc/73/00/82/290730082.db2.gz	GNNNYDVRGRJSNE-UHFFFAOYSA-N	-1	0	280.328	0.663	20	70		CCIDRM
CC(C)C[C@@H]1CCCN(C(=O)c2nc(=O)[nH][n-]2)C1	ZINC000161220862	350715784	/nfs/dbraw/zinc/71/57/84/350715784.db2.gz	QPRBXHQREZPLBM-VIFPVBQESA-N	-1	0	252.318	0.996	20	70		CCIDRM
Cc1ccc(-c2nc(NC(=O)CCS(C)(=O)=O)n[nH]2)o1	ZINC000160338280	389386969	/nfs/dbraw/zinc/38/69/69/389386969.db2.gz	ZHEJIXQPADTTDD-UHFFFAOYSA-N	-1	0	298.324	0.746	20	70		CCIDRM
CC[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)[O-]	ZINC001593605381	953429860	/nfs/dbraw/zinc/42/98/60/953429860.db2.gz	HANQTMCZUWLJAX-SECBINFHSA-N	-1	0	289.284	0.938	20	70		CCIDRM
O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(S(=O)(=O)F)c[nH]1	ZINC001594794435	953703444	/nfs/dbraw/zinc/70/34/44/953703444.db2.gz	DODDGZLZXZQIDI-OLQVQODUSA-N	-1	0	290.272	0.266	20	70		CCIDRM
CC[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C(=O)[O-]	ZINC001593605672	953431540	/nfs/dbraw/zinc/43/15/40/953431540.db2.gz	IQPWREMIGVUCBW-SECBINFHSA-N	-1	0	289.284	0.938	20	70		CCIDRM
C[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C(=O)[O-]	ZINC001605048495	972663256	/nfs/dbraw/zinc/66/32/56/972663256.db2.gz	OYKQHDFOKAMAEQ-LURJTMIESA-N	-1	0	275.257	0.548	20	70		CCIDRM
O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1nc(=O)[nH][n-]1	ZINC000160611311	290731450	/nfs/dbraw/zinc/73/14/50/290731450.db2.gz	UEQILFVYDMOQGC-KXUCPTDWSA-N	-1	0	256.265	0.166	20	70		CCIDRM
CCc1cccc(CC(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000160125014	350696243	/nfs/dbraw/zinc/69/62/43/350696243.db2.gz	VREDXMUYOKCOKE-UHFFFAOYSA-N	-1	0	260.297	0.519	20	70		CCIDRM
CCN(CCC(=O)[O-])C(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001596308817	983737571	/nfs/dbraw/zinc/73/75/71/983737571.db2.gz	GODDHDJBLJYKMJ-UHFFFAOYSA-N	-1	0	292.288	0.610	20	70		CCIDRM
O=C(NC1(CO)CC1)c1nn(-c2ccccc2)cc1[O-]	ZINC000160254919	290729185	/nfs/dbraw/zinc/72/91/85/290729185.db2.gz	XZONVSJHRCRKAL-UHFFFAOYSA-N	-1	0	273.292	0.833	20	70		CCIDRM
O=S(=O)(N[C@H]1CC[C@@H](CO)CC1)c1ccccn1	ZINC000161365236	350719553	/nfs/dbraw/zinc/71/95/53/350719553.db2.gz	ZOMNGIYPOSFQJC-XYPYZODXSA-N	-1	0	270.354	0.911	20	70		CCIDRM
C[C@@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001603152368	972252535	/nfs/dbraw/zinc/25/25/35/972252535.db2.gz	RBHVXILGQGKDMR-LURJTMIESA-N	-1	0	292.288	0.466	20	70		CCIDRM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ncnn1C	ZINC000159685356	544695135	/nfs/dbraw/zinc/69/51/35/544695135.db2.gz	ASJYJWCUEHZSLD-UHFFFAOYSA-N	-1	0	298.372	0.474	20	70		CCIDRM
CC(C)(C)S(=O)(=O)CC(=O)[N-]OCc1cccnc1	ZINC000159407998	389366731	/nfs/dbraw/zinc/36/67/31/389366731.db2.gz	KERJCKUEDLQBQA-UHFFFAOYSA-N	-1	0	286.353	0.843	20	70		CCIDRM
Cc1cc(F)cc2c(O)c(C(=O)N[C@@H](C)C(N)=O)cnc12	ZINC000160101027	350695078	/nfs/dbraw/zinc/69/50/78/350695078.db2.gz	AUZNBWSCVMLRFG-ZETCQYMHSA-N	-1	0	291.282	0.579	20	70		CCIDRM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C1(C)CC1	ZINC000161128903	389404379	/nfs/dbraw/zinc/40/43/79/389404379.db2.gz	ZOVSPKDGKKMWED-UHFFFAOYSA-N	-1	0	271.342	0.642	20	70		CCIDRM
O=C([O-])CNC(=O)c1ccc(S(=O)(=O)F)cc1Cl	ZINC001595103421	951873651	/nfs/dbraw/zinc/87/36/51/951873651.db2.gz	GIAUNMSQOIZCFV-UHFFFAOYSA-N	-1	0	295.675	0.813	20	70		CCIDRM
O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)c1c[nH]cn1	ZINC000160236633	290729171	/nfs/dbraw/zinc/72/91/71/290729171.db2.gz	FOUSTOFCRIOXHG-UHFFFAOYSA-N	-1	0	295.246	0.969	20	70		CCIDRM
CC(C)c1csc(CNC(=O)c2nc(=O)[nH][n-]2)n1	ZINC000160579204	350702767	/nfs/dbraw/zinc/70/27/67/350702767.db2.gz	PNNLJYKIUZTBAV-UHFFFAOYSA-N	-1	0	267.314	0.608	20	70		CCIDRM
CC(C)(C)C(=O)NCC(=O)[N-]OCc1cccnc1	ZINC000160862239	389400980	/nfs/dbraw/zinc/40/09/80/389400980.db2.gz	SDVMSCBRKCHJBD-UHFFFAOYSA-N	-1	0	265.313	0.792	20	70		CCIDRM
CO[C@@H](CNC(=O)c1nc(=O)[nH][n-]1)c1ccccc1Cl	ZINC000160546353	544699926	/nfs/dbraw/zinc/69/99/26/544699926.db2.gz	UBYPPGCVBRKKNV-VIFPVBQESA-N	-1	0	296.714	0.869	20	70		CCIDRM
CN(CCCC(=O)[O-])C(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001593746077	954387201	/nfs/dbraw/zinc/38/72/01/954387201.db2.gz	HINKBQJXVHCGNK-UHFFFAOYSA-N	-1	0	292.288	0.610	20	70		CCIDRM
CC(=O)C(CCS(=O)(=O)F)(C[C@H](C)C(=O)[O-])C(C)=O	ZINC001589023221	985021628	/nfs/dbraw/zinc/02/16/28/985021628.db2.gz	MQPJZLFTBVNHQL-ZETCQYMHSA-N	-1	0	296.316	0.951	20	70		CCIDRM
COc1ccsc1S(=O)(=O)[N-]c1nnc[nH]1	ZINC000159591825	290725163	/nfs/dbraw/zinc/72/51/63/290725163.db2.gz	QNOIQVVCUBMOOV-UHFFFAOYSA-N	-1	0	260.300	0.676	20	70		CCIDRM
CO[C@H](CNC(=O)c1nc(=O)[nH][n-]1)c1ccccc1Cl	ZINC000160546484	544700117	/nfs/dbraw/zinc/70/01/17/544700117.db2.gz	UBYPPGCVBRKKNV-SECBINFHSA-N	-1	0	296.714	0.869	20	70		CCIDRM
O=C([O-])C(=O)COC(=O)c1ccc(S(=O)(=O)F)cc1	ZINC001594822857	953918945	/nfs/dbraw/zinc/91/89/45/953918945.db2.gz	LNCAQQWEGVSQHQ-UHFFFAOYSA-N	-1	0	290.224	0.155	20	70		CCIDRM
CC(C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001588791175	961364411	/nfs/dbraw/zinc/36/44/11/961364411.db2.gz	IYLVXURMZXZCTR-UHFFFAOYSA-N	-1	0	278.261	0.266	20	70		CCIDRM
CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001588950314	962568607	/nfs/dbraw/zinc/56/86/07/962568607.db2.gz	ZRKZYVCGDFEQEJ-MRVPVSSYSA-N	-1	0	292.288	0.512	20	70		CCIDRM
Cc1cc(F)cc2c(=O)c(C(=O)NCCO)c[nH]c12	ZINC000159413797	350677656	/nfs/dbraw/zinc/67/76/56/350677656.db2.gz	JCRKLKAXRFRIJA-UHFFFAOYSA-N	-1	0	264.256	0.698	20	70		CCIDRM
C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001603184590	972287520	/nfs/dbraw/zinc/28/75/20/972287520.db2.gz	FIPZMKBYWLQBRS-YFKPBYRVSA-N	-1	0	278.261	0.123	20	70		CCIDRM
C#CCN(CC(=O)[O-])C(=O)c1cccc(S(=O)(=O)F)c1	ZINC001588419165	958192959	/nfs/dbraw/zinc/19/29/59/958192959.db2.gz	VNKNFDDELIZMSL-UHFFFAOYSA-N	-1	0	299.279	0.505	20	70		CCIDRM
CC[C@H](C)S(=O)(=O)[N-]C(=O)/C=C/c1ccncn1	ZINC000159658034	350684010	/nfs/dbraw/zinc/68/40/10/350684010.db2.gz	UQTYBHSKLFNGSW-MOVJSRMASA-N	-1	0	269.326	0.734	20	70		CCIDRM
O=C([O-])COCC(=O)Nc1cccc(S(=O)(=O)F)c1	ZINC001595108357	951900041	/nfs/dbraw/zinc/90/00/41/951900041.db2.gz	WEFJUEISWBZJBR-UHFFFAOYSA-N	-1	0	291.256	0.385	20	70		CCIDRM
CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001589435089	954681583	/nfs/dbraw/zinc/68/15/83/954681583.db2.gz	BNOFUPAIEJGYAZ-MRVPVSSYSA-N	-1	0	292.288	0.608	20	70		CCIDRM
Cc1cc(S(=O)(=O)F)ccc1C(=O)NCC(=O)[O-]	ZINC001594328392	958194130	/nfs/dbraw/zinc/19/41/30/958194130.db2.gz	QTNMOFMYXOILCX-UHFFFAOYSA-N	-1	0	275.257	0.468	20	70		CCIDRM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1nnc[nH]1	ZINC000159597450	544695113	/nfs/dbraw/zinc/69/51/13/544695113.db2.gz	WZJJCUBRBCSWNE-UHFFFAOYSA-N	-1	0	284.345	0.464	20	70		CCIDRM
CO[C@]1(CNS(=O)(=O)c2ccccc2[O-])CCOC1	ZINC000160830916	544701320	/nfs/dbraw/zinc/70/13/20/544701320.db2.gz	IWBVLYWVSIHOOE-LBPRGKRZSA-N	-1	0	287.337	0.476	20	70		CCIDRM
CON(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H](C)C(=O)[O-]	ZINC001594034002	957790463	/nfs/dbraw/zinc/79/04/63/957790463.db2.gz	IXRXTCUOXYXUIQ-RXMQYKEDSA-N	-1	0	294.260	0.150	20	70		CCIDRM
C[C@H](C(=O)[O-])C(=O)Nc1ncc(S(=O)(=O)F)s1	ZINC001588585480	959304776	/nfs/dbraw/zinc/30/47/76/959304776.db2.gz	MVYUBWWWAASQPQ-VKHMYHEASA-N	-1	0	282.274	0.461	20	70		CCIDRM
O=C([O-])[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001606382474	973833918	/nfs/dbraw/zinc/83/39/18/973833918.db2.gz	QMANBXVYLSBFIG-QMMMGPOBSA-N	-1	0	290.272	0.362	20	70		CCIDRM
Cc1noc(C)c1S(=O)(=O)[N-]c1nncs1	ZINC000160586942	389393796	/nfs/dbraw/zinc/39/37/96/389393796.db2.gz	MNQXXXAVNBFRES-UHFFFAOYSA-N	-1	0	260.300	0.944	20	70		CCIDRM
C[C@@H](CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-]	ZINC000160908970	524807231	/nfs/dbraw/zinc/80/72/31/524807231.db2.gz	CONYNIXJWAFLJZ-QMMMGPOBSA-N	-1	0	279.271	0.828	20	70		CCIDRM
CN1C[C@H](NS(=O)(=O)c2cccs2)CCC1=O	ZINC000160098602	389380235	/nfs/dbraw/zinc/38/02/35/389380235.db2.gz	SFIWFSDRDPDYQT-MRVPVSSYSA-N	-1	0	274.367	0.647	20	70		CCIDRM
Cc1ccc2c(c1)[C@H](NC(=O)c1nc(=O)[nH][n-]1)CO2	ZINC000160131663	350696000	/nfs/dbraw/zinc/69/60/00/350696000.db2.gz	PEVVVXXRDVCRFR-MRVPVSSYSA-N	-1	0	260.253	0.270	20	70		CCIDRM
CN1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)C1=O	ZINC000160487563	389391498	/nfs/dbraw/zinc/39/14/98/389391498.db2.gz	IMBTZEKUMDFZGI-SECBINFHSA-N	-1	0	290.291	0.474	20	70		CCIDRM
O=C([O-])CNC(=O)c1cccc(S(=O)(=O)F)c1	ZINC001574727183	962818925	/nfs/dbraw/zinc/81/89/25/962818925.db2.gz	SFKOCKNUOXVQIM-UHFFFAOYSA-N	-1	0	261.230	0.159	20	70		CCIDRM
Cn1ncnc1NC(=O)c1ncn(-c2ccccc2)n1	ZINC000160215920	350697249	/nfs/dbraw/zinc/69/72/49/350697249.db2.gz	YDKXWINYRYQTKV-UHFFFAOYSA-N	-1	0	269.268	0.648	20	70		CCIDRM
CC(C)c1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cn1	ZINC000159892851	389375947	/nfs/dbraw/zinc/37/59/47/389375947.db2.gz	GTXDIUWOEXOZNW-UHFFFAOYSA-N	-1	0	261.285	0.546	20	70		CCIDRM
Cc1nc(CCNC(=O)c2nc(=O)[nH][n-]2)sc1C	ZINC000160092971	290727947	/nfs/dbraw/zinc/72/79/47/290727947.db2.gz	MJAKXUTUVUMACO-UHFFFAOYSA-N	-1	0	267.314	0.144	20	70		CCIDRM
CC(C)CCn1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)n1	ZINC000159534792	350680461	/nfs/dbraw/zinc/68/04/61/350680461.db2.gz	RVBSLRIXGDCIIP-UHFFFAOYSA-N	-1	0	293.331	0.662	20	70		CCIDRM
CS(=O)(=O)[N-]C(=O)[C@H]1OCCc2ccccc21	ZINC000160018236	389377820	/nfs/dbraw/zinc/37/78/20/389377820.db2.gz	YEYJTBWXWKVKEA-JTQLQIEISA-N	-1	0	255.295	0.376	20	70		CCIDRM
O=C([O-])CCC(=O)Nc1ncc(S(=O)(=O)F)s1	ZINC001606104103	973289899	/nfs/dbraw/zinc/28/98/99/973289899.db2.gz	YJSFRZGCPUDPSA-UHFFFAOYSA-N	-1	0	282.274	0.605	20	70		CCIDRM
CC[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001603567069	973695432	/nfs/dbraw/zinc/69/54/32/973695432.db2.gz	MMNNDKWQHWEQLG-ZCFIWIBFSA-N	-1	0	292.288	0.514	20	70		CCIDRM
O=C([N-]S(=O)(=O)c1ccsc1)[C@H]1CCCOC1	ZINC000159643697	389370442	/nfs/dbraw/zinc/37/04/42/389370442.db2.gz	KWIAIETWOKTFGJ-QMMMGPOBSA-N	-1	0	275.351	0.980	20	70		CCIDRM
C[C@H](CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001589001011	955324209	/nfs/dbraw/zinc/32/42/09/955324209.db2.gz	ADVYDAKSMHWEQL-RXMQYKEDSA-N	-1	0	278.261	0.266	20	70		CCIDRM
C[C@H]1CC[C@@](CCS(=O)(=O)F)(C(=O)[O-])C1=O	ZINC001594305757	999181476	/nfs/dbraw/zinc/18/14/76/999181476.db2.gz	VVQCPDZVDNSIBK-RCOVLWMOSA-N	-1	0	252.263	0.746	20	70		CCIDRM
C[C@@H](C(=O)[O-])C(=O)Nc1ncc(S(=O)(=O)F)s1	ZINC001588585479	959303719	/nfs/dbraw/zinc/30/37/19/959303719.db2.gz	MVYUBWWWAASQPQ-GSVOUGTGSA-N	-1	0	282.274	0.461	20	70		CCIDRM