smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]C[C@H](O)COCC1CC1)c1cc(F)c(F)cc1F	ZINC000160693408	441910487	/nfs/dbraw/zinc/91/04/87/441910487.db2.gz	ZFHVGJIOCBLJFX-VIFPVBQESA-N	-1	1	339.335	1.170	20	70		EDIDMM
Cc1nc(-c2ccc(N3CCS(=O)(=O)[C@H](C)C3)nc2)[n-]c(=O)c1C	ZINC000160729950	441914344	/nfs/dbraw/zinc/91/43/44/441914344.db2.gz	VJMRLAIELCOINH-SNVBAGLBSA-N	-1	1	348.428	1.072	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3sccc3C2)co1	ZINC000161280789	206338909	/nfs/dbraw/zinc/33/89/09/206338909.db2.gz	XUSXJRVDOBJJPR-UHFFFAOYSA-N	-1	1	326.399	1.448	20	70		EDIDMM
O=S(=O)([N-]C[C@@H](O)COCC1CC1)c1ccc(F)c(F)c1F	ZINC000160694342	441910951	/nfs/dbraw/zinc/91/09/51/441910951.db2.gz	MUSRLUZELAJHMY-SECBINFHSA-N	-1	1	339.335	1.170	20	70		EDIDMM
Cc1ccc(-n2[n-]c(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)cc2=O)cc1	ZINC000159720718	441831961	/nfs/dbraw/zinc/83/19/61/441831961.db2.gz	YWKJDMPQABOGCU-OKILXGFUSA-N	-1	1	326.400	1.441	20	70		EDIDMM
CSc1nc(C)c(CCC(=O)N2CCOC[C@@H]2C2CC2)c(=O)[n-]1	ZINC000161343531	206341962	/nfs/dbraw/zinc/34/19/62/206341962.db2.gz	NXYBXHLTJQGTLA-CYBMUJFWSA-N	-1	1	337.445	1.370	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)c2c(C)noc2C)co1	ZINC000161402035	206346004	/nfs/dbraw/zinc/34/60/04/206346004.db2.gz	AASRWGWVMPLJQR-QMMMGPOBSA-N	-1	1	341.389	1.326	20	70		EDIDMM
COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000159380013	206242621	/nfs/dbraw/zinc/24/26/21/206242621.db2.gz	FLNIVEJOYNDUEG-SNVBAGLBSA-N	-1	1	345.808	1.094	20	70		EDIDMM
Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000159867965	206267576	/nfs/dbraw/zinc/26/75/76/206267576.db2.gz	UZXFUJUZQPPJRO-SSDOTTSWSA-N	-1	1	332.813	1.588	20	70		EDIDMM
O=C(N[C@H]1CCCCNC1=O)c1ccc(Br)c([O-])c1	ZINC000159922645	441848105	/nfs/dbraw/zinc/84/81/05/441848105.db2.gz	ZLZWZXPMDLFMEN-JTQLQIEISA-N	-1	1	327.178	1.553	20	70		EDIDMM
CNC(=O)C(C)(C)CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1	ZINC000161106372	441958080	/nfs/dbraw/zinc/95/80/80/441958080.db2.gz	FPGMEPUAEZYOOX-UHFFFAOYSA-N	-1	1	329.404	1.633	20	70		EDIDMM
COC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F	ZINC000160912803	206318527	/nfs/dbraw/zinc/31/85/27/206318527.db2.gz	HWVCZBIRMFCHCG-ZETCQYMHSA-N	-1	1	347.742	1.644	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(-c2nc(COc3ccccc3)no2)co1	ZINC000161378987	206344909	/nfs/dbraw/zinc/34/49/09/206344909.db2.gz	QEZRRCRXEFDIOV-UHFFFAOYSA-N	-1	1	335.341	1.817	20	70		EDIDMM
O=C(NC1(CO)CC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000160247570	441868191	/nfs/dbraw/zinc/86/81/91/441868191.db2.gz	HBQOJAPZQVOQTA-UHFFFAOYSA-N	-1	1	346.408	1.742	20	70		EDIDMM
O=S(=O)([N-]CCSCCCO)c1ccc(F)c(F)c1F	ZINC000161329591	441986178	/nfs/dbraw/zinc/98/61/78/441986178.db2.gz	PYTBBRFPAPFXGE-UHFFFAOYSA-N	-1	1	329.365	1.498	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCC[C@H]2CCCC[C@H]2O)co1	ZINC000160496805	272929961	/nfs/dbraw/zinc/92/99/61/272929961.db2.gz	DIUVKSCCVBFPKB-DGCLKSJQSA-N	-1	1	344.433	1.249	20	70		EDIDMM
C[C@@H](CO)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000160518785	441891339	/nfs/dbraw/zinc/89/13/39/441891339.db2.gz	FXZWITMQNVMSDI-ZDUSSCGKSA-N	-1	1	348.424	1.940	20	70		EDIDMM
C[C@H](CO)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000160481603	441886862	/nfs/dbraw/zinc/88/68/62/441886862.db2.gz	NOIAABBKEFTRGJ-ZDUSSCGKSA-N	-1	1	348.424	1.846	20	70		EDIDMM
COc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1	ZINC000159505824	533135982	/nfs/dbraw/zinc/13/59/82/533135982.db2.gz	MSUWLLAWVOKLFA-NSHDSACASA-N	-1	1	345.808	1.094	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCC[C@@H]2CCCC[C@@H]2O)co1	ZINC000160496421	441890434	/nfs/dbraw/zinc/89/04/34/441890434.db2.gz	DIUVKSCCVBFPKB-AAEUAGOBSA-N	-1	1	344.433	1.249	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccccc2OC)co1	ZINC000159447130	530025495	/nfs/dbraw/zinc/02/54/95/530025495.db2.gz	SMTCEKFSLKFYNH-UHFFFAOYSA-N	-1	1	338.385	1.169	20	70		EDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)Cc1cccn1C	ZINC000160485231	441888507	/nfs/dbraw/zinc/88/85/07/441888507.db2.gz	XUHHMRMAUJORHP-UHFFFAOYSA-N	-1	1	327.388	1.179	20	70		EDIDMM
C[C@H](CO)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000160459164	441885884	/nfs/dbraw/zinc/88/58/84/441885884.db2.gz	AURKVJHISSRAEU-CYBMUJFWSA-N	-1	1	348.424	1.940	20	70		EDIDMM
CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3[nH]nc(C)c3C)cc21	ZINC000160475238	441886527	/nfs/dbraw/zinc/88/65/27/441886527.db2.gz	DYVOPTFXODIQNV-UHFFFAOYSA-N	-1	1	334.401	1.736	20	70		EDIDMM
Cc1cccc(-n2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)nn2)c1	ZINC000160859249	441928124	/nfs/dbraw/zinc/92/81/24/441928124.db2.gz	PBLVNPZISXCWNL-UHFFFAOYSA-N	-1	1	337.265	1.965	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C)c(F)c2)co1	ZINC000161025087	441947807	/nfs/dbraw/zinc/94/78/07/441947807.db2.gz	RWRJEINRAIHQDV-UHFFFAOYSA-N	-1	1	326.349	1.565	20	70		EDIDMM
Cc1ccc(N2C[C@H](C(=O)[N-]OCc3cccnc3)CC2=O)cc1	ZINC000160836308	441926296	/nfs/dbraw/zinc/92/62/96/441926296.db2.gz	GAWBGKFARSXWTG-OAHLLOKOSA-N	-1	1	325.368	1.991	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)co1	ZINC000160726219	441914673	/nfs/dbraw/zinc/91/46/73/441914673.db2.gz	PNXNICSVWUHNTK-VNQPRFMTSA-N	-1	1	346.408	1.646	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(OC(C)C)CC2)co1	ZINC000161440835	540034092	/nfs/dbraw/zinc/03/40/92/540034092.db2.gz	SDNCKQJKRUGHIP-UHFFFAOYSA-N	-1	1	344.433	1.654	20	70		EDIDMM
C[C@@H]1CCCN(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)C1	ZINC000160214735	225363185	/nfs/dbraw/zinc/36/31/85/225363185.db2.gz	WZDJALFTQBCSLN-SECBINFHSA-N	-1	1	326.344	1.834	20	70		EDIDMM
O=C(c1nn(-c2ccccc2F)cc1[O-])N1C[C@H]2CCC[C@@H](C1)N2	ZINC000160643007	441904280	/nfs/dbraw/zinc/90/42/80/441904280.db2.gz	OFTRSYWVKHKDNI-TXEJJXNPSA-N	-1	1	330.363	1.684	20	70		EDIDMM
Cn1cc(N2CC[C@@H](O[N-]C(=O)CCCc3ccccc3)C2=O)cn1	ZINC000160777027	441920823	/nfs/dbraw/zinc/92/08/23/441920823.db2.gz	QIQNPXQPWDCTBR-MRXNPFEDSA-N	-1	1	342.399	1.596	20	70		EDIDMM
Cn1cnc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2O)c1Cl	ZINC000159867400	303018805	/nfs/dbraw/zinc/01/88/05/303018805.db2.gz	YOBINUUTFCJIDA-MNOVXSKESA-N	-1	1	327.793	1.010	20	70		EDIDMM
Cc1n[nH]c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C	ZINC000160488352	441888038	/nfs/dbraw/zinc/88/80/38/441888038.db2.gz	YRJQWXODYBFRTG-UHFFFAOYSA-N	-1	1	334.401	1.954	20	70		EDIDMM
Cn1c(=O)oc2c1cccc2C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000160813774	441924250	/nfs/dbraw/zinc/92/42/50/441924250.db2.gz	HFQGWWLFEDEACI-UHFFFAOYSA-N	-1	1	327.222	1.521	20	70		EDIDMM
CCC1(CC)[C@H](NC(=O)c2coc(S(=O)(=O)[N-]C)c2)C[C@@H]1OC	ZINC000159784462	529107137	/nfs/dbraw/zinc/10/71/37/529107137.db2.gz	BYCVRGXOXHNZDB-NEPJUHHUSA-N	-1	1	344.433	1.511	20	70		EDIDMM
CC(C)(C)c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)s1	ZINC000159683735	441830482	/nfs/dbraw/zinc/83/04/82/441830482.db2.gz	MJTWEQBLDSKWBR-UHFFFAOYSA-N	-1	1	328.419	1.820	20	70		EDIDMM
CC(C)(C)c1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)s1	ZINC000159683735	441830491	/nfs/dbraw/zinc/83/04/91/441830491.db2.gz	MJTWEQBLDSKWBR-UHFFFAOYSA-N	-1	1	328.419	1.820	20	70		EDIDMM
O=C([N-]OCc1cccnc1)[C@H]1CC(=O)N(c2ccccc2F)C1	ZINC000160786474	441920756	/nfs/dbraw/zinc/92/07/56/441920756.db2.gz	OPJLAJJNHRBWTB-ZDUSSCGKSA-N	-1	1	329.331	1.822	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c(F)cccc3C2)co1	ZINC000161041585	441950155	/nfs/dbraw/zinc/95/01/55/441950155.db2.gz	WVAGZHCLELDFRN-UHFFFAOYSA-N	-1	1	338.360	1.525	20	70		EDIDMM
COc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000159379878	532982674	/nfs/dbraw/zinc/98/26/74/532982674.db2.gz	FLNIVEJOYNDUEG-JTQLQIEISA-N	-1	1	345.808	1.094	20	70		EDIDMM
O=S(=O)([N-]C[C@@H](O)COCC1CC1)c1cc(F)c(F)cc1F	ZINC000160693535	441910681	/nfs/dbraw/zinc/91/06/81/441910681.db2.gz	ZFHVGJIOCBLJFX-SECBINFHSA-N	-1	1	339.335	1.170	20	70		EDIDMM
CS(=O)(=O)N1CC[C@H](CNC(=O)c2cc3ccccc3cc2[O-])C1	ZINC000159389792	225208819	/nfs/dbraw/zinc/20/88/19/225208819.db2.gz	KQRJHGHWDSPOML-GFCCVEGCSA-N	-1	1	348.424	1.557	20	70		EDIDMM
C[C@H](CO)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000160518897	441891020	/nfs/dbraw/zinc/89/10/20/441891020.db2.gz	FXZWITMQNVMSDI-CYBMUJFWSA-N	-1	1	348.424	1.940	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCc2cccc(Cl)c2)co1	ZINC000159512709	318418552	/nfs/dbraw/zinc/41/85/52/318418552.db2.gz	BCYAFPGDWPUAEI-UHFFFAOYSA-N	-1	1	342.804	1.814	20	70		EDIDMM
CCc1c([N-]S(=O)(=O)CCOCCOC)cnn1CC(C)C	ZINC000160408751	540022875	/nfs/dbraw/zinc/02/28/75/540022875.db2.gz	FHBWOUFVIOLWPT-UHFFFAOYSA-N	-1	1	333.454	1.506	20	70		EDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCOC(C)(C)C1	ZINC000160098608	534645565	/nfs/dbraw/zinc/64/55/65/534645565.db2.gz	DCUJOIFXTMYWEQ-UHFFFAOYSA-N	-1	1	332.404	1.622	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCN(C)c2ccccc2)co1	ZINC000160932462	441937473	/nfs/dbraw/zinc/93/74/73/441937473.db2.gz	QKTLSFRFOHDZEN-UHFFFAOYSA-N	-1	1	337.401	1.054	20	70		EDIDMM
C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)CN1CCOCC1	ZINC000160375073	534075895	/nfs/dbraw/zinc/07/58/95/534075895.db2.gz	MZQFKZSDVFGQCB-NSHDSACASA-N	-1	1	334.388	1.211	20	70		EDIDMM
O=C(CCNC(=O)C1CCCCC1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000160858154	441928907	/nfs/dbraw/zinc/92/89/07/441928907.db2.gz	QBKGFXBGMLVPFA-UHFFFAOYSA-N	-1	1	333.314	1.849	20	70		EDIDMM
CC(C)(C)[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(N)=O	ZINC000159638835	526635313	/nfs/dbraw/zinc/63/53/13/526635313.db2.gz	YKDNGTPSRXYKDA-JTQLQIEISA-N	-1	1	329.194	1.785	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2[C@@H]3Cc4ccccc4[C@@H]32)co1	ZINC000160028806	530025677	/nfs/dbraw/zinc/02/56/77/530025677.db2.gz	GMIGORAGBASEJW-DZKIICNBSA-N	-1	1	346.408	1.503	20	70		EDIDMM
Cc1cc(C[C@H](C)NC(=O)c2ccccc2[N-]S(C)(=O)=O)n[nH]1	ZINC000161347757	441988550	/nfs/dbraw/zinc/98/85/50/441988550.db2.gz	PMVMPTCJASUROH-JTQLQIEISA-N	-1	1	336.417	1.451	20	70		EDIDMM
Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CC[NH+](C2CC2)CC1	ZINC000161430437	441999126	/nfs/dbraw/zinc/99/91/26/441999126.db2.gz	DWIDYWWQOFRWDG-UHFFFAOYSA-N	-1	1	343.431	1.291	20	70		EDIDMM
CSc1nc(C)c(CCC(=O)N2CCOC[C@H]2C2CC2)c(=O)[n-]1	ZINC000161343660	441988827	/nfs/dbraw/zinc/98/88/27/441988827.db2.gz	NXYBXHLTJQGTLA-ZDUSSCGKSA-N	-1	1	337.445	1.370	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2cccc(C)n2)co1	ZINC000159751832	530024963	/nfs/dbraw/zinc/02/49/63/530024963.db2.gz	LAAVRIKQSOFKAQ-CQSZACIVSA-N	-1	1	349.412	1.868	20	70		EDIDMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC(O)C2)cc1	ZINC000161402143	441996234	/nfs/dbraw/zinc/99/62/34/441996234.db2.gz	QCZCJYQQGSVXEP-UHFFFAOYSA-N	-1	1	346.408	1.613	20	70		EDIDMM
CC(C)c1cc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)[nH]n1	ZINC000160648956	441906025	/nfs/dbraw/zinc/90/60/25/441906025.db2.gz	NKCNCSBDNNCOEC-UHFFFAOYSA-N	-1	1	343.430	1.737	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)co1	ZINC000160253046	206285992	/nfs/dbraw/zinc/28/59/92/206285992.db2.gz	XVJMUBSTBNVEQI-JTQLQIEISA-N	-1	1	338.385	1.254	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CC2)co1	ZINC000161234981	206335249	/nfs/dbraw/zinc/33/52/49/206335249.db2.gz	FQFFXJLRTINTOQ-UHFFFAOYSA-N	-1	1	334.397	1.649	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)co1	ZINC000159364390	546519750	/nfs/dbraw/zinc/51/97/50/546519750.db2.gz	CRPQHSPKOZQARX-MRVPVSSYSA-N	-1	1	344.339	1.957	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(-c2nc(Cc3ccc(OC)cc3)no2)co1	ZINC000161487804	206350893	/nfs/dbraw/zinc/35/08/93/206350893.db2.gz	CDSCEHSKVHSBII-UHFFFAOYSA-N	-1	1	349.368	1.837	20	70		EDIDMM
Cc1ccc(N2C[C@@H](C(=O)[N-]OCc3cccnc3)CC2=O)cc1	ZINC000160836464	441926598	/nfs/dbraw/zinc/92/65/98/441926598.db2.gz	GAWBGKFARSXWTG-HNNXBMFYSA-N	-1	1	325.368	1.991	20	70		EDIDMM
Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000159868104	206267142	/nfs/dbraw/zinc/26/71/42/206267142.db2.gz	UZXFUJUZQPPJRO-ZETCQYMHSA-N	-1	1	332.813	1.588	20	70		EDIDMM
O=C([N-]OCc1cccnc1)[C@H]1CC(=O)N(CCc2ccccc2)C1	ZINC000160735219	441914369	/nfs/dbraw/zinc/91/43/69/441914369.db2.gz	GRPIITZUHVTYBO-KRWDZBQOSA-N	-1	1	339.395	1.721	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)co1	ZINC000159364240	546519731	/nfs/dbraw/zinc/51/97/31/546519731.db2.gz	CRPQHSPKOZQARX-QMMMGPOBSA-N	-1	1	344.339	1.957	20	70		EDIDMM
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[O-]	ZINC000160479953	206298412	/nfs/dbraw/zinc/29/84/12/206298412.db2.gz	BRLRCRWXKSECBD-SNVBAGLBSA-N	-1	1	332.809	1.199	20	70		EDIDMM
O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CC(O)C1	ZINC000161468322	206350463	/nfs/dbraw/zinc/35/04/63/206350463.db2.gz	WUGBKFJKSUXQKQ-UHFFFAOYSA-N	-1	1	332.381	1.304	20	70		EDIDMM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cc1	ZINC000160500339	540023567	/nfs/dbraw/zinc/02/35/67/540023567.db2.gz	SJUVJESCSQFSDR-UHFFFAOYSA-N	-1	1	336.417	1.506	20	70		EDIDMM
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1	ZINC000161039091	441949852	/nfs/dbraw/zinc/94/98/52/441949852.db2.gz	XCMSVXXLKQJJOG-JGVFFNPUSA-N	-1	1	326.403	1.320	20	70		EDIDMM
Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1	ZINC000161039091	441949856	/nfs/dbraw/zinc/94/98/56/441949856.db2.gz	XCMSVXXLKQJJOG-JGVFFNPUSA-N	-1	1	326.403	1.320	20	70		EDIDMM
CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1c(C)noc1C	ZINC000160028111	529671059	/nfs/dbraw/zinc/67/10/59/529671059.db2.gz	SIAILLDKOLCCNR-SNVBAGLBSA-N	-1	1	341.389	1.674	20	70		EDIDMM
C[C@@H](NC(=O)c1c([O-])cccc1F)c1cccc(S(N)(=O)=O)c1	ZINC000161371141	441991456	/nfs/dbraw/zinc/99/14/56/441991456.db2.gz	PHDNNRURZBLTAH-SECBINFHSA-N	-1	1	338.360	1.670	20	70		EDIDMM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1[C@H](C)CC[C@H]1C	ZINC000161473820	442003333	/nfs/dbraw/zinc/00/33/33/442003333.db2.gz	CGGGZTFAXSTASD-CHWSQXEVSA-N	-1	1	348.447	1.247	20	70		EDIDMM
C[C@@]([N-]S(=O)(=O)c1c(F)cccc1F)(C(N)=O)c1ccccc1	ZINC000161228825	225579030	/nfs/dbraw/zinc/57/90/30/225579030.db2.gz	KKYQAPNHVKOGOV-HNNXBMFYSA-N	-1	1	340.351	1.644	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCOc2cccc(C)c2)co1	ZINC000159602686	441824271	/nfs/dbraw/zinc/82/42/71/441824271.db2.gz	RUPWCFPJSKZPFC-UHFFFAOYSA-N	-1	1	338.385	1.305	20	70		EDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1cnn(C)c1	ZINC000160947137	441938744	/nfs/dbraw/zinc/93/87/44/441938744.db2.gz	VDFVMBTUQFAPNQ-UHFFFAOYSA-N	-1	1	328.376	1.034	20	70		EDIDMM
CC(C)C[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1	ZINC000160652104	318422898	/nfs/dbraw/zinc/42/28/98/318422898.db2.gz	GNNHJYQSKFSLMG-NSHDSACASA-N	-1	1	346.449	1.493	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H](SC)C2)co1	ZINC000160775887	441919140	/nfs/dbraw/zinc/91/91/40/441919140.db2.gz	GVEBBKDZFRGWOX-NSHDSACASA-N	-1	1	332.447	1.545	20	70		EDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3c(F)cccc3C2)o1	ZINC000160816602	441923787	/nfs/dbraw/zinc/92/37/87/441923787.db2.gz	ZXKXRHNYWFVHKX-UHFFFAOYSA-N	-1	1	338.360	1.525	20	70		EDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](CO)CC(C)C	ZINC000161035322	441948782	/nfs/dbraw/zinc/94/87/82/441948782.db2.gz	BZSOVAMEKKGFCG-ZDUSSCGKSA-N	-1	1	334.420	1.508	20	70		EDIDMM
CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc3ccccc3c2[O-])C1	ZINC000159383540	225207418	/nfs/dbraw/zinc/20/74/18/225207418.db2.gz	PIYYEYHYPJYZFK-GFCCVEGCSA-N	-1	1	348.424	1.557	20	70		EDIDMM
CC(C)C[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1	ZINC000160652221	318422912	/nfs/dbraw/zinc/42/29/12/318422912.db2.gz	GNNHJYQSKFSLMG-LLVKDONJSA-N	-1	1	346.449	1.493	20	70		EDIDMM
C[C@@H](CO)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000160481738	302923028	/nfs/dbraw/zinc/92/30/28/302923028.db2.gz	NOIAABBKEFTRGJ-CYBMUJFWSA-N	-1	1	348.424	1.846	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2[C@@H]3CCc4ccccc4[C@@H]32)co1	ZINC000160726395	441914323	/nfs/dbraw/zinc/91/43/23/441914323.db2.gz	PNXNICSVWUHNTK-KBMXLJTQSA-N	-1	1	346.408	1.646	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCC[C@H]2CCCC[C@@H]2O)co1	ZINC000160496550	441890174	/nfs/dbraw/zinc/89/01/74/441890174.db2.gz	DIUVKSCCVBFPKB-YPMHNXCESA-N	-1	1	344.433	1.249	20	70		EDIDMM
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc[nH]c(=O)c2)CC1	ZINC000161411577	441996377	/nfs/dbraw/zinc/99/63/77/441996377.db2.gz	BAQPUWQTPQITCA-UHFFFAOYSA-N	-1	1	326.352	1.816	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2cccc(C)n2)co1	ZINC000159751716	530025011	/nfs/dbraw/zinc/02/50/11/530025011.db2.gz	LAAVRIKQSOFKAQ-AWEZNQCLSA-N	-1	1	349.412	1.868	20	70		EDIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)n[nH]1	ZINC000159960315	441849498	/nfs/dbraw/zinc/84/94/98/441849498.db2.gz	UHIWQAOHOVGDEE-UHFFFAOYSA-N	-1	1	327.362	1.933	20	70		EDIDMM
Cc1n[nH]c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c1C	ZINC000160482522	441886588	/nfs/dbraw/zinc/88/65/88/441886588.db2.gz	YWQBRKZFFCRUQL-UHFFFAOYSA-N	-1	1	347.393	1.370	20	70		EDIDMM
CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000159784869	529115882	/nfs/dbraw/zinc/11/58/82/529115882.db2.gz	BYCVRGXOXHNZDB-NWDGAFQWSA-N	-1	1	344.433	1.511	20	70		EDIDMM
COCCN(CCOC)C(=O)c1cc(Br)ccc1[O-]	ZINC000218097430	139020841	/nfs/dbraw/zinc/02/08/41/139020841.db2.gz	STJQGMBFXLERKI-UHFFFAOYSA-N	-1	1	332.194	1.890	20	70		EDIDMM
COc1ccc([C@H](O)C[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1	ZINC000159505933	225230491	/nfs/dbraw/zinc/23/04/91/225230491.db2.gz	MSUWLLAWVOKLFA-LLVKDONJSA-N	-1	1	345.808	1.094	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCSc2ccccc2)co1	ZINC000159730377	441833110	/nfs/dbraw/zinc/83/31/10/441833110.db2.gz	VGRQSCDLUJQITP-UHFFFAOYSA-N	-1	1	340.426	1.710	20	70		EDIDMM
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)Cc2c(C)noc2C)o1	ZINC000159881507	534241799	/nfs/dbraw/zinc/24/17/99/534241799.db2.gz	LSDFMDUOUNHCBR-MRVPVSSYSA-N	-1	1	342.373	1.581	20	70		EDIDMM
CCC1(CC)[C@@H](NC(=O)c2coc(S(=O)(=O)[N-]C)c2)C[C@@H]1OC	ZINC000159784613	529093636	/nfs/dbraw/zinc/09/36/36/529093636.db2.gz	BYCVRGXOXHNZDB-RYUDHWBXSA-N	-1	1	344.433	1.511	20	70		EDIDMM
CSc1nc(C)c(CCC(=O)NCCc2cccc(O)c2)c(=O)[n-]1	ZINC000160136329	138639436	/nfs/dbraw/zinc/63/94/36/138639436.db2.gz	XXKKFOHSZBHPCM-UHFFFAOYSA-N	-1	1	347.440	1.797	20	70		EDIDMM
Cc1n[nH]c([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)c1C	ZINC000160489736	441888827	/nfs/dbraw/zinc/88/88/27/441888827.db2.gz	WTFALIXPCXTORM-UHFFFAOYSA-N	-1	1	343.430	1.539	20	70		EDIDMM
O=C([N-]OCc1cccnc1)[C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC000160786346	441920784	/nfs/dbraw/zinc/92/07/84/441920784.db2.gz	OPJLAJJNHRBWTB-CYBMUJFWSA-N	-1	1	329.331	1.822	20	70		EDIDMM
Cc1cc(C[C@@H](C)NC(=O)c2ccccc2[N-]S(C)(=O)=O)n[nH]1	ZINC000161347632	441989158	/nfs/dbraw/zinc/98/91/58/441989158.db2.gz	PMVMPTCJASUROH-SNVBAGLBSA-N	-1	1	336.417	1.451	20	70		EDIDMM
CC[C@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1c(C)noc1C	ZINC000160577772	318422449	/nfs/dbraw/zinc/42/24/49/318422449.db2.gz	DOEKGHMGRQMANK-NSHDSACASA-N	-1	1	341.389	1.674	20	70		EDIDMM
O=S(=O)([N-]C[C@H](O)COCC1CC1)c1ccc(F)c(F)c1F	ZINC000160694204	441910586	/nfs/dbraw/zinc/91/05/86/441910586.db2.gz	MUSRLUZELAJHMY-VIFPVBQESA-N	-1	1	339.335	1.170	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(OC)cc3)no2)co1	ZINC000161467109	442003273	/nfs/dbraw/zinc/00/32/73/442003273.db2.gz	TVZWFOULWYSGRM-UHFFFAOYSA-N	-1	1	335.341	1.913	20	70		EDIDMM
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000160274904	441869221	/nfs/dbraw/zinc/86/92/21/441869221.db2.gz	DNYZSSPPLRAOII-TXEJJXNPSA-N	-1	1	341.408	1.164	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C)nc3c2)co1	ZINC000160701278	441910370	/nfs/dbraw/zinc/91/03/70/441910370.db2.gz	KVTOJTYFNDUPBG-UHFFFAOYSA-N	-1	1	335.341	1.890	20	70		EDIDMM
O=C([N-]OCc1cccnc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1	ZINC000160785370	441920259	/nfs/dbraw/zinc/92/02/59/441920259.db2.gz	ABHCZMUPGWINGB-MRXNPFEDSA-N	-1	1	325.368	1.678	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCOC3(CCCC3)C2)co1	ZINC000160144927	530026184	/nfs/dbraw/zinc/02/61/84/530026184.db2.gz	ZFPQHMDRGUTHPN-LBPRGKRZSA-N	-1	1	342.417	1.409	20	70		EDIDMM
C[C@H]1CCCN(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)C1	ZINC000160214859	225363933	/nfs/dbraw/zinc/36/39/33/225363933.db2.gz	WZDJALFTQBCSLN-VIFPVBQESA-N	-1	1	326.344	1.834	20	70		EDIDMM
C[C@@H](CO)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000160459048	441885481	/nfs/dbraw/zinc/88/54/81/441885481.db2.gz	AURKVJHISSRAEU-ZDUSSCGKSA-N	-1	1	348.424	1.940	20	70		EDIDMM
O=C(CCNC(=O)C1CCCCC1)Nc1nc(-c2ccccn2)n[nH]1	ZINC000160900166	441933336	/nfs/dbraw/zinc/93/33/36/441933336.db2.gz	VXMFENRFRKWPGY-UHFFFAOYSA-N	-1	1	342.403	1.892	20	70		EDIDMM
CC(C)(O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F	ZINC000161006274	441946694	/nfs/dbraw/zinc/94/66/94/441946694.db2.gz	GHHNZZIPYWGYLA-UHFFFAOYSA-N	-1	1	344.177	1.777	20	70		EDIDMM
O=C([N-]CC1CCN(C(=O)c2cccc(O)c2)CC1)C(F)(F)F	ZINC000216737296	139020504	/nfs/dbraw/zinc/02/05/04/139020504.db2.gz	LOPXTMNPDIRIHL-UHFFFAOYSA-N	-1	1	330.306	1.923	20	70		EDIDMM
Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1	ZINC000159453428	206246638	/nfs/dbraw/zinc/24/66/38/206246638.db2.gz	LOCNYWNOHNHHRL-NSHDSACASA-N	-1	1	329.809	1.394	20	70		EDIDMM
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1	ZINC000160272697	441870065	/nfs/dbraw/zinc/87/00/65/441870065.db2.gz	ZKQMIOAAOWEZIC-BETUJISGSA-N	-1	1	337.445	1.333	20	70		EDIDMM
CCCCc1cc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)n[nH]1	ZINC000159939328	441849878	/nfs/dbraw/zinc/84/98/78/441849878.db2.gz	HLUPFXJHAIJMLX-UHFFFAOYSA-N	-1	1	340.405	1.678	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCc2nc3ccccc3[nH]2)co1	ZINC000160397536	441878319	/nfs/dbraw/zinc/87/83/19/441878319.db2.gz	LJGMLVJQGIJROY-UHFFFAOYSA-N	-1	1	348.384	1.037	20	70		EDIDMM
C[C@H](CO)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000160439962	441883751	/nfs/dbraw/zinc/88/37/51/441883751.db2.gz	AOFUSURGODSHLS-ZDUSSCGKSA-N	-1	1	348.424	1.846	20	70		EDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](CO)CC(C)C	ZINC000161035428	206325677	/nfs/dbraw/zinc/32/56/77/206325677.db2.gz	BZSOVAMEKKGFCG-CYBMUJFWSA-N	-1	1	334.420	1.508	20	70		EDIDMM
CNC(=O)c1cccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1	ZINC000160503850	441889722	/nfs/dbraw/zinc/88/97/22/441889722.db2.gz	JWCAXPSSPFENAS-UHFFFAOYSA-N	-1	1	341.293	1.754	20	70		EDIDMM
O=C(NCCCc1nc(=O)[n-][nH]1)c1cccc(OC(F)(F)F)c1	ZINC000159843163	441841594	/nfs/dbraw/zinc/84/15/94/441841594.db2.gz	DFZPGQXPDWSESI-UHFFFAOYSA-N	-1	1	330.266	1.359	20	70		EDIDMM
CCCCN(CC(N)=O)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000160175600	206283034	/nfs/dbraw/zinc/28/30/34/206283034.db2.gz	BDYIRXKAOSPLGL-UHFFFAOYSA-N	-1	1	347.419	1.098	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC2(Cc3ccccc3)CC2)co1	ZINC000160788585	206313705	/nfs/dbraw/zinc/31/37/05/206313705.db2.gz	VNXWFNSYFOCDDM-UHFFFAOYSA-N	-1	1	348.424	1.940	20	70		EDIDMM
COC[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F	ZINC000160912669	206318579	/nfs/dbraw/zinc/31/85/79/206318579.db2.gz	HWVCZBIRMFCHCG-SSDOTTSWSA-N	-1	1	347.742	1.644	20	70		EDIDMM
C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)[C@@H]1CN(C)CCO1	ZINC000160626045	539483886	/nfs/dbraw/zinc/48/38/86/539483886.db2.gz	QMVCBRWKTXXJLT-RNCFNFMXSA-N	-1	1	343.221	1.604	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCCOc2ccccc2)co1	ZINC000160852100	206316401	/nfs/dbraw/zinc/31/64/01/206316401.db2.gz	YITVGIIHAINBGZ-UHFFFAOYSA-N	-1	1	338.385	1.387	20	70		EDIDMM
CC[C@@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1c(C)noc1C	ZINC000160577877	206304759	/nfs/dbraw/zinc/30/47/59/206304759.db2.gz	DOEKGHMGRQMANK-LLVKDONJSA-N	-1	1	341.389	1.674	20	70		EDIDMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(O)C3)cc2)cc1	ZINC000161486605	206352065	/nfs/dbraw/zinc/35/20/65/206352065.db2.gz	IPLDOKICPGFTEO-UHFFFAOYSA-N	-1	1	346.408	1.613	20	70		EDIDMM
C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)CN1CCOCC1	ZINC000160367228	206292465	/nfs/dbraw/zinc/29/24/65/206292465.db2.gz	RZKZVPCLNCGPBE-LLVKDONJSA-N	-1	1	334.388	1.211	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)Cc2ccc(O)cc2)co1	ZINC000160253176	206286328	/nfs/dbraw/zinc/28/63/28/206286328.db2.gz	XVJMUBSTBNVEQI-SNVBAGLBSA-N	-1	1	338.385	1.254	20	70		EDIDMM
Cn1cnc(S(=O)(=O)[N-]C[C@H](O)c2cccc(F)c2)c1Cl	ZINC000160092016	225335562	/nfs/dbraw/zinc/33/55/62/225335562.db2.gz	AZCVLHWSUAZKIV-JTQLQIEISA-N	-1	1	333.772	1.225	20	70		EDIDMM
COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1c(F)cccc1F	ZINC000160411856	441879706	/nfs/dbraw/zinc/87/97/06/441879706.db2.gz	MKYYDIIHKKJUMG-ZDUSSCGKSA-N	-1	1	335.372	1.972	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(C)cc(OC)c2)co1	ZINC000161342743	441989181	/nfs/dbraw/zinc/98/91/81/441989181.db2.gz	MXEAEOXXLJNLQS-UHFFFAOYSA-N	-1	1	338.385	1.435	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCc2cc3ccccc3[nH]2)co1	ZINC000160628014	318422945	/nfs/dbraw/zinc/42/29/45/318422945.db2.gz	YJKOTAJFIJYJNK-UHFFFAOYSA-N	-1	1	347.396	1.642	20	70		EDIDMM
CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)[nH]n1	ZINC000160640540	441904943	/nfs/dbraw/zinc/90/49/43/441904943.db2.gz	HAWUANYESXSVDQ-UHFFFAOYSA-N	-1	1	334.401	1.620	20	70		EDIDMM
O=C(COc1ccccc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC000216734617	139020617	/nfs/dbraw/zinc/02/06/17/139020617.db2.gz	IIELRTHJZYMKQJ-UHFFFAOYSA-N	-1	1	344.333	1.983	20	70		EDIDMM
COc1cccc(CC(=O)N2CCC([N-]C(=O)C(F)(F)F)CC2)c1	ZINC000216745804	139020510	/nfs/dbraw/zinc/02/05/10/139020510.db2.gz	BEEOGTPGCMKGTN-UHFFFAOYSA-N	-1	1	344.333	1.907	20	70		EDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCCSCC1	ZINC000160355404	441874034	/nfs/dbraw/zinc/87/40/34/441874034.db2.gz	SHKREMGDFBCTJD-UHFFFAOYSA-N	-1	1	334.445	1.950	20	70		EDIDMM
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1	ZINC000161038963	441950024	/nfs/dbraw/zinc/95/00/24/441950024.db2.gz	XCMSVXXLKQJJOG-HTQZYQBOSA-N	-1	1	326.403	1.320	20	70		EDIDMM
Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1	ZINC000161038963	441950028	/nfs/dbraw/zinc/95/00/28/441950028.db2.gz	XCMSVXXLKQJJOG-HTQZYQBOSA-N	-1	1	326.403	1.320	20	70		EDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccn(CCC(C)C)n2)co1	ZINC000159695333	530026515	/nfs/dbraw/zinc/02/65/15/530026515.db2.gz	OJDOPKSPTVSIKK-UHFFFAOYSA-N	-1	1	340.405	1.683	20	70		EDIDMM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3[nH]nc(C)c3C)ccc21	ZINC000160478562	441886611	/nfs/dbraw/zinc/88/66/11/441886611.db2.gz	VIWRLZCKYDIQRJ-UHFFFAOYSA-N	-1	1	334.401	1.736	20	70		EDIDMM
C[C@H](NC(=O)c1c([O-])cccc1F)c1cccc(S(N)(=O)=O)c1	ZINC000161371027	441991156	/nfs/dbraw/zinc/99/11/56/441991156.db2.gz	PHDNNRURZBLTAH-VIFPVBQESA-N	-1	1	338.360	1.670	20	70		EDIDMM