smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC1(C2CC2)CC1	ZINC000159663634	524716639	/nfs/dbraw/zinc/71/66/39/524716639.db2.gz	DDJGTLCVBCIOAF-UHFFFAOYSA-N	-1	1	360.458	1.154	20	70		FDIDMM
Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2cccc(F)c2F)c1	ZINC000159920829	524769652	/nfs/dbraw/zinc/76/96/52/524769652.db2.gz	UPDHTIDZVQZHBD-GFCCVEGCSA-N	-1	1	357.378	1.991	20	70		FDIDMM
C[C@H](CS(C)(=O)=O)CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1	ZINC000160367655	524869683	/nfs/dbraw/zinc/86/96/83/524869683.db2.gz	FXVANILNGBVDGJ-LLVKDONJSA-N	-1	1	363.505	1.382	20	70		FDIDMM
CCn1cc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)ccc1=O	ZINC000160566794	524919216	/nfs/dbraw/zinc/91/92/16/524919216.db2.gz	FEUAVWYZLHDMNE-UHFFFAOYSA-N	-1	1	355.398	1.805	20	70		FDIDMM
O=C(NC1(CO)CC1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000160198359	524828483	/nfs/dbraw/zinc/82/84/83/524828483.db2.gz	SOYNHGSOPCJDSC-UHFFFAOYSA-N	-1	1	364.398	1.881	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)co1	ZINC000160671560	524945297	/nfs/dbraw/zinc/94/52/97/524945297.db2.gz	NNBKCHGQBKYXLU-XHDPSFHLSA-N	-1	1	364.423	1.652	20	70		FDIDMM
CC[C@H](C)NC(=O)[C@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000161477421	525116624	/nfs/dbraw/zinc/11/66/24/525116624.db2.gz	YLKTUILRFYMMNM-JQWIXIFHSA-N	-1	1	361.446	1.404	20	70		FDIDMM
O=C([O-])Cc1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	ZINC001606320521	973739109	/nfs/dbraw/zinc/73/91/09/973739109.db2.gz	LBIKNITWMGZWPW-UHFFFAOYSA-N	-1	1	373.383	1.773	20	70		FDIDMM
CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160076430	524803190	/nfs/dbraw/zinc/80/31/90/524803190.db2.gz	OXVHGPGPUPOXPK-RXMQYKEDSA-N	-1	1	373.631	1.654	20	70		FDIDMM
O=C(c1ccc(Br)cc1[O-])N1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000160345422	524861855	/nfs/dbraw/zinc/86/18/55/524861855.db2.gz	LABXHBBDSGKQKS-SKDRFNHKSA-N	-1	1	353.216	1.895	20	70		FDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCCC(=O)NC1CC1	ZINC000160364165	524869432	/nfs/dbraw/zinc/86/94/32/524869432.db2.gz	HYTWUTLTLKBSDE-UHFFFAOYSA-N	-1	1	359.430	1.159	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccn(CC(F)(F)F)n2)co1	ZINC000160848311	524984801	/nfs/dbraw/zinc/98/48/01/524984801.db2.gz	YOSWPFIEMOMVDE-UHFFFAOYSA-N	-1	1	352.294	1.199	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C[C@@H](O)c2ccc(F)cc2)co1	ZINC000159923131	173692200	/nfs/dbraw/zinc/69/22/00/173692200.db2.gz	WRHQZUVOSRUAFQ-QMTHXVAHSA-N	-1	1	370.402	1.569	20	70		FDIDMM
C[C@H](CO)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000159618217	524708251	/nfs/dbraw/zinc/70/82/51/524708251.db2.gz	RUCISINTSNZLII-GUYCJALGSA-N	-1	1	356.422	1.895	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(Cc3cccs3)CC2)co1	ZINC000159636194	524712870	/nfs/dbraw/zinc/71/28/70/524712870.db2.gz	RWFLIPYHUUYKNC-UHFFFAOYSA-N	-1	1	369.468	1.207	20	70		FDIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)[nH]n1	ZINC000159959765	524776836	/nfs/dbraw/zinc/77/68/36/524776836.db2.gz	XQPFBNPNKPXJSR-UHFFFAOYSA-N	-1	1	357.457	1.957	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)CC(=O)c2cccs2)o1	ZINC000160886729	524990677	/nfs/dbraw/zinc/99/06/77/524990677.db2.gz	BFNJHABEYJIEFY-SECBINFHSA-N	-1	1	356.425	1.641	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2cnn(-c3ccccc3)c2)co1	ZINC000161315011	525077561	/nfs/dbraw/zinc/07/75/61/525077561.db2.gz	YYZJKQJXGGHKSG-UHFFFAOYSA-N	-1	1	360.395	1.303	20	70		FDIDMM
O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(=O)N1CC[C@@H](O)C1	ZINC000159519532	524689592	/nfs/dbraw/zinc/68/95/92/524689592.db2.gz	FKPRFICWIUHRIN-RHSMWYFYSA-N	-1	1	354.406	1.743	20	70		FDIDMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(O)C3)cc2)cc1C	ZINC000161413388	525103602	/nfs/dbraw/zinc/10/36/02/525103602.db2.gz	GAGIHYHCRWOXTF-UHFFFAOYSA-N	-1	1	360.435	1.921	20	70		FDIDMM
O=C(CNC(=O)c1ccccc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC000216726272	258395339	/nfs/dbraw/zinc/39/53/39/258395339.db2.gz	MVFPGODCSQKILZ-UHFFFAOYSA-N	-1	1	371.359	1.334	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)o1	ZINC000160060339	524799832	/nfs/dbraw/zinc/79/98/32/524799832.db2.gz	DELOZSDLSJCYDV-JSGCOSHPSA-N	-1	1	366.439	1.472	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)co1	ZINC000160450721	524891788	/nfs/dbraw/zinc/89/17/88/524891788.db2.gz	GXCLHHQNSGPFMQ-XPTSAGLGSA-N	-1	1	356.375	1.179	20	70		FDIDMM
COC(=O)c1sc2[nH]c(C[N@H+](C)C[C@@H]3CCC[C@@H]3O)nc(=O)c2c1C	ZINC000159805175	524740458	/nfs/dbraw/zinc/74/04/58/524740458.db2.gz	MJFOSPUTBAHRCF-QWRGUYRKSA-N	-1	1	365.455	1.672	20	70		FDIDMM
Cn1cc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)cc1C(N)=O	ZINC000159853700	524752459	/nfs/dbraw/zinc/75/24/59/524752459.db2.gz	GZIAJJOXKXHYPI-UHFFFAOYSA-N	-1	1	365.459	1.771	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCc2nc3ccccc3s2)co1	ZINC000160401177	524877571	/nfs/dbraw/zinc/87/75/71/524877571.db2.gz	JSXOZJMGAMQFFD-UHFFFAOYSA-N	-1	1	365.436	1.770	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)co1	ZINC000160451001	524891221	/nfs/dbraw/zinc/89/12/21/524891221.db2.gz	GXCLHHQNSGPFMQ-LKFCYVNXSA-N	-1	1	356.375	1.179	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCOc2cccc(Cl)c2)co1	ZINC000160794047	524972405	/nfs/dbraw/zinc/97/24/05/524972405.db2.gz	GXQKAEHYRFYFBZ-UHFFFAOYSA-N	-1	1	372.830	1.992	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(COC)o2)o1	ZINC000161366336	525094971	/nfs/dbraw/zinc/09/49/71/525094971.db2.gz	FXRYYEWRSDLSDK-LBPRGKRZSA-N	-1	1	368.411	1.904	20	70		FDIDMM
CC(=O)NC[C@H]1CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1	ZINC000161443761	525110057	/nfs/dbraw/zinc/11/00/57/525110057.db2.gz	FVLOPIYTGRGRGF-OAHLLOKOSA-N	-1	1	373.457	1.359	20	70		FDIDMM
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000161477040	525115770	/nfs/dbraw/zinc/11/57/70/525115770.db2.gz	YLKTUILRFYMMNM-ZYHUDNBSSA-N	-1	1	361.446	1.404	20	70		FDIDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)CN1CCOCC1	ZINC000160394813	524879300	/nfs/dbraw/zinc/87/93/00/524879300.db2.gz	DCLPYRCCFXFFKT-JTQLQIEISA-N	-1	1	352.378	1.351	20	70		FDIDMM
Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1C	ZINC000160503963	524903915	/nfs/dbraw/zinc/90/39/15/524903915.db2.gz	RGHZKWLJUNAORV-UHFFFAOYSA-N	-1	1	363.321	1.340	20	70		FDIDMM
O=C([O-])Nc1cccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1	ZINC000217125524	601935441	/nfs/dbraw/zinc/93/54/41/601935441.db2.gz	WOKIZEBINCADCA-SFHVURJKSA-N	-1	1	369.421	1.926	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)co1	ZINC000160151159	524820581	/nfs/dbraw/zinc/82/05/81/524820581.db2.gz	OCNYXMUDGAZCMS-CYBMUJFWSA-N	-1	1	356.444	1.799	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)co1	ZINC000160174534	524824910	/nfs/dbraw/zinc/82/49/10/524824910.db2.gz	RXPUWXMZILSJAS-VIFPVBQESA-N	-1	1	356.375	1.826	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)co1	ZINC000160671701	524945561	/nfs/dbraw/zinc/94/55/61/524945561.db2.gz	NNBKCHGQBKYXLU-IAQYHMDHSA-N	-1	1	364.423	1.652	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccccc2Cl)co1	ZINC000161473669	525116746	/nfs/dbraw/zinc/11/67/46/525116746.db2.gz	GLMBKUPZAILZCF-UHFFFAOYSA-N	-1	1	358.803	1.650	20	70		FDIDMM
C[C@@H](CO)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000160439070	524889207	/nfs/dbraw/zinc/88/92/07/524889207.db2.gz	MXICZYHEYVPXJQ-GFCCVEGCSA-N	-1	1	366.414	1.985	20	70		FDIDMM
Cc1ccc(Br)c(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1	ZINC000159683897	524721452	/nfs/dbraw/zinc/72/14/52/524721452.db2.gz	LUAHAAGRQSELGW-UHFFFAOYSA-N	-1	1	359.205	1.531	20	70		FDIDMM
Cc1ccc(Br)c(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1	ZINC000159683897	524721460	/nfs/dbraw/zinc/72/14/60/524721460.db2.gz	LUAHAAGRQSELGW-UHFFFAOYSA-N	-1	1	359.205	1.531	20	70		FDIDMM
Cc1cc(C[C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)[nH]n1	ZINC000161138721	525040993	/nfs/dbraw/zinc/04/09/93/525040993.db2.gz	YOTYKPRAGCXTST-JTQLQIEISA-N	-1	1	368.459	1.749	20	70		FDIDMM
CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160025439	173695990	/nfs/dbraw/zinc/69/59/90/173695990.db2.gz	ATVUWBDTHOREBC-UHFFFAOYSA-N	-1	1	373.631	1.656	20	70		FDIDMM
NC(=O)C1CCN(C(=O)c2cc(I)ccc2[O-])CC1	ZINC000217517651	178269837	/nfs/dbraw/zinc/26/98/37/178269837.db2.gz	KMPYDVIRXGAGBA-UHFFFAOYSA-N	-1	1	374.178	1.334	20	70		FDIDMM
Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000160265256	173704750	/nfs/dbraw/zinc/70/47/50/173704750.db2.gz	NULYHFPZZNTLHG-UHFFFAOYSA-N	-1	1	360.823	1.073	20	70		FDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1OCCc2ccccc21	ZINC000160095650	524807035	/nfs/dbraw/zinc/80/70/35/524807035.db2.gz	QGFBHBKLMZIUMT-SFHVURJKSA-N	-1	1	352.394	1.570	20	70		FDIDMM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(C3CC3)CC2)c(F)c1	ZINC000160112573	524812945	/nfs/dbraw/zinc/81/29/45/524812945.db2.gz	UAPILBSYODOISU-UHFFFAOYSA-N	-1	1	362.448	1.666	20	70		FDIDMM
C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)CN1CCOCC1	ZINC000160377805	524872324	/nfs/dbraw/zinc/87/23/24/524872324.db2.gz	VSNXBDVPWZTGPM-JTQLQIEISA-N	-1	1	352.378	1.351	20	70		FDIDMM
COCCN1C[C@@H](C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CC1=O	ZINC000160623568	524931861	/nfs/dbraw/zinc/93/18/61/524931861.db2.gz	RZPDNBIFNLDBDG-LBPRGKRZSA-N	-1	1	360.332	1.748	20	70		FDIDMM
O=S(=O)([N-]C[C@@H](O)COCC1CC1)c1sccc1Br	ZINC000160657768	524940011	/nfs/dbraw/zinc/94/00/11/524940011.db2.gz	KJCUYHURVVVRAG-SECBINFHSA-N	-1	1	370.290	1.576	20	70		FDIDMM
COc1ccc(C(=O)[N-]C(=O)CN2CCN(Cc3ccncc3)CC2)cc1	ZINC000161167276	525048788	/nfs/dbraw/zinc/04/87/88/525048788.db2.gz	VNRVOSPHXQKNIT-UHFFFAOYSA-N	-1	1	368.437	1.164	20	70		FDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCOCC(F)(F)F	ZINC000159519141	524689225	/nfs/dbraw/zinc/68/92/25/524689225.db2.gz	JDXNCSMCJUEUTG-UHFFFAOYSA-N	-1	1	360.336	1.679	20	70		FDIDMM
CC(=O)NCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000159644247	524712481	/nfs/dbraw/zinc/71/24/81/524712481.db2.gz	DXRXUAYAENNTKV-UHFFFAOYSA-N	-1	1	373.631	1.656	20	70		FDIDMM
O=S(=O)([N-]C[C@H](O)COc1ccc(F)cc1)c1cc(F)ccc1F	ZINC000159981051	524779088	/nfs/dbraw/zinc/77/90/88/524779088.db2.gz	BFSVZYIEBKORHG-LBPRGKRZSA-N	-1	1	361.341	1.822	20	70		FDIDMM
O=C(NCCC[N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(O)c1	ZINC000160742871	524962409	/nfs/dbraw/zinc/96/24/09/524962409.db2.gz	NUSQRBIDEKESDK-UHFFFAOYSA-N	-1	1	370.377	1.769	20	70		FDIDMM
Cc1cc(C[C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)[nH]n1	ZINC000161138626	525042046	/nfs/dbraw/zinc/04/20/46/525042046.db2.gz	YOTYKPRAGCXTST-SNVBAGLBSA-N	-1	1	368.459	1.749	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-n2ccc(C)n2)o1	ZINC000161388475	525099949	/nfs/dbraw/zinc/09/99/49/525099949.db2.gz	LBZZNHNCAFBXFN-UHFFFAOYSA-N	-1	1	360.395	1.934	20	70		FDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)C[C@@H](O)c1ccccc1	ZINC000159390569	524660086	/nfs/dbraw/zinc/66/00/86/524660086.db2.gz	KYPQKNINPNFISQ-YVEFUNNKSA-N	-1	1	368.437	1.810	20	70		FDIDMM
C[C@@H](CO)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000159618354	524708809	/nfs/dbraw/zinc/70/88/09/524708809.db2.gz	RUCISINTSNZLII-DYVFJYSZSA-N	-1	1	356.422	1.895	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)co1	ZINC000159691582	524721417	/nfs/dbraw/zinc/72/14/17/524721417.db2.gz	OLSHHVIVLULJIB-LBPRGKRZSA-N	-1	1	366.443	1.016	20	70		FDIDMM
CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000159765076	524734721	/nfs/dbraw/zinc/73/47/21/524734721.db2.gz	BKTYLICCOHLINS-QWHCGFSZSA-N	-1	1	358.460	1.853	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCOc2ccc(C)cc2)co1	ZINC000160798028	524973802	/nfs/dbraw/zinc/97/38/02/524973802.db2.gz	YSOPALGPLAGDNY-UHFFFAOYSA-N	-1	1	352.412	1.647	20	70		FDIDMM
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)cs1	ZINC000768889488	978740620	/nfs/dbraw/zinc/74/06/20/978740620.db2.gz	BWNLVHZSADMDBS-UHFFFAOYSA-N	-1	1	365.385	1.905	20	70		FDIDMM
CCCCc1cc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)[nH]n1	ZINC000159945893	524772432	/nfs/dbraw/zinc/77/24/32/524772432.db2.gz	LPXRKNRJYJRJTB-UHFFFAOYSA-N	-1	1	357.457	1.957	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2[C@@H]3CCc4ccccc4[C@H]23)co1	ZINC000160506340	524905019	/nfs/dbraw/zinc/90/50/19/524905019.db2.gz	SNQGPRIJIKZNEL-UXLLHSPISA-N	-1	1	360.435	1.894	20	70		FDIDMM
COC[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F	ZINC000160920596	524996446	/nfs/dbraw/zinc/99/64/46/524996446.db2.gz	TXTKOADZMKIYIC-LURJTMIESA-N	-1	1	360.176	1.013	20	70		FDIDMM
Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2cc(F)ccc2F)c1	ZINC000159932570	524770908	/nfs/dbraw/zinc/77/09/08/524770908.db2.gz	XHARSPRQJJVJLJ-CYBMUJFWSA-N	-1	1	357.378	1.991	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCCN(C)c2ccccc2)co1	ZINC000160354532	524866881	/nfs/dbraw/zinc/86/68/81/524866881.db2.gz	BCMCKKWAKVZCQV-UHFFFAOYSA-N	-1	1	351.428	1.444	20	70		FDIDMM
COC(=O)c1[nH]c(C)c(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1C	ZINC000160687401	524948387	/nfs/dbraw/zinc/94/83/87/524948387.db2.gz	XIVXNRGKZIGYMH-UHFFFAOYSA-N	-1	1	371.397	1.301	20	70		FDIDMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N1CC(O)C1	ZINC000161428570	525107281	/nfs/dbraw/zinc/10/72/81/525107281.db2.gz	WJFHLQIKEFIUMS-UHFFFAOYSA-N	-1	1	364.398	1.752	20	70		FDIDMM
CCN(CCCNC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1ccccc1	ZINC000160405996	524879782	/nfs/dbraw/zinc/87/97/82/524879782.db2.gz	REDBJFCBJUFTAG-UHFFFAOYSA-N	-1	1	365.455	1.834	20	70		FDIDMM
Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1cccc(F)c1F	ZINC000160257876	173704174	/nfs/dbraw/zinc/70/41/74/173704174.db2.gz	RWQMZSCPIIFCEE-UHFFFAOYSA-N	-1	1	358.366	1.965	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C[C@H](O)c2ccc(F)cc2)co1	ZINC000159922862	524768364	/nfs/dbraw/zinc/76/83/64/524768364.db2.gz	WRHQZUVOSRUAFQ-YGRLFVJLSA-N	-1	1	370.402	1.569	20	70		FDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCO[C@@H](c2cccs2)C1	ZINC000161283205	525071925	/nfs/dbraw/zinc/07/19/25/525071925.db2.gz	IOLGCBCPWUKIRT-CQSZACIVSA-N	-1	1	372.450	1.844	20	70		FDIDMM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCC1=CCCC1	ZINC000160252635	524841048	/nfs/dbraw/zinc/84/10/48/524841048.db2.gz	UVPYRNHYCYLTBQ-UHFFFAOYSA-N	-1	1	360.458	1.464	20	70		FDIDMM
C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)CN1CCOCC1	ZINC000160377912	524872156	/nfs/dbraw/zinc/87/21/56/524872156.db2.gz	VSNXBDVPWZTGPM-SNVBAGLBSA-N	-1	1	352.378	1.351	20	70		FDIDMM
CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161371478	525093844	/nfs/dbraw/zinc/09/38/44/525093844.db2.gz	RGKMEEFRVBMMBB-BBRMVZONSA-N	-1	1	353.488	1.907	20	70		FDIDMM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	ZINC000771831935	969165058	/nfs/dbraw/zinc/16/50/58/969165058.db2.gz	TWJWWVKWPFHBMD-UHFFFAOYSA-N	-1	1	359.356	1.844	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)o1	ZINC000160325936	524858241	/nfs/dbraw/zinc/85/82/41/524858241.db2.gz	HMEZEZBSRSHULH-GFCCVEGCSA-N	-1	1	356.444	1.799	20	70		FDIDMM
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(O)C3)cc2)ccc1F	ZINC000161438423	525107982	/nfs/dbraw/zinc/10/79/82/525107982.db2.gz	VYBHUOKZIDQQRB-UHFFFAOYSA-N	-1	1	364.398	1.752	20	70		FDIDMM
CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000159679433	524719307	/nfs/dbraw/zinc/71/93/07/524719307.db2.gz	YBCMBWDJIIYACV-UHFFFAOYSA-N	-1	1	373.631	1.656	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)co1	ZINC000160948863	525002704	/nfs/dbraw/zinc/00/27/04/525002704.db2.gz	PBQPWXRFSZGWER-UHFFFAOYSA-N	-1	1	363.439	1.459	20	70		FDIDMM
Cn1cnc(S(=O)(=O)[N-][C@@H](CO)Cc2c[nH]c3ccccc23)c1Cl	ZINC000161260834	525069319	/nfs/dbraw/zinc/06/93/19/525069319.db2.gz	AUACKBXCDGFFTK-LLVKDONJSA-N	-1	1	368.846	1.437	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(COC)o2)o1	ZINC000161366221	525093923	/nfs/dbraw/zinc/09/39/23/525093923.db2.gz	FXRYYEWRSDLSDK-GFCCVEGCSA-N	-1	1	368.411	1.904	20	70		FDIDMM
C[C@@H](CO)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000159618606	524708214	/nfs/dbraw/zinc/70/82/14/524708214.db2.gz	RUCISINTSNZLII-CXAGYDPISA-N	-1	1	356.422	1.895	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3nccn3C)cs2)co1	ZINC000160180358	524825256	/nfs/dbraw/zinc/82/52/56/524825256.db2.gz	SFCKRTMDKKDAGO-UHFFFAOYSA-N	-1	1	367.412	1.297	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccn(C3CCCC3)n2)co1	ZINC000160546011	524912296	/nfs/dbraw/zinc/91/22/96/524912296.db2.gz	NUPYBJUEXCLALN-UHFFFAOYSA-N	-1	1	352.416	1.429	20	70		FDIDMM
NC(=O)C1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1	ZINC000161058055	525025331	/nfs/dbraw/zinc/02/53/31/525025331.db2.gz	RXWPDZPBRLNBPS-UHFFFAOYSA-N	-1	1	371.615	1.538	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C[C@H](O)c2cccs2)co1	ZINC000161383707	525098281	/nfs/dbraw/zinc/09/82/81/525098281.db2.gz	KCQYGJGIYKYCCP-ONGXEEELSA-N	-1	1	358.441	1.491	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)co1	ZINC000159922982	524769719	/nfs/dbraw/zinc/76/97/19/524769719.db2.gz	WRHQZUVOSRUAFQ-IINYFYTJSA-N	-1	1	370.402	1.569	20	70		FDIDMM
Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2cccc(F)c2F)c1	ZINC000159920957	524769842	/nfs/dbraw/zinc/76/98/42/524769842.db2.gz	UPDHTIDZVQZHBD-LBPRGKRZSA-N	-1	1	357.378	1.991	20	70		FDIDMM
C[C@H](CO)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000160438947	524889766	/nfs/dbraw/zinc/88/97/66/524889766.db2.gz	MXICZYHEYVPXJQ-LBPRGKRZSA-N	-1	1	366.414	1.985	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCOc2ccccc2F)co1	ZINC000160823361	524976481	/nfs/dbraw/zinc/97/64/81/524976481.db2.gz	WTDBNUCCLDXKEJ-UHFFFAOYSA-N	-1	1	356.375	1.478	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3cccs3)C2)o1	ZINC000161421064	525104196	/nfs/dbraw/zinc/10/41/96/525104196.db2.gz	LSJZZTMTHICQMN-NSHDSACASA-N	-1	1	356.425	1.463	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(N(C)C)nc3c2)co1	ZINC000159743825	524731994	/nfs/dbraw/zinc/73/19/94/524731994.db2.gz	JBHDCRVSFDYWMV-UHFFFAOYSA-N	-1	1	364.383	1.647	20	70		FDIDMM
Cn1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)cc1C(=O)[O-]	ZINC000768885998	978739975	/nfs/dbraw/zinc/73/99/75/978739975.db2.gz	GEKOJJBXBKAPGC-UHFFFAOYSA-N	-1	1	362.360	1.182	20	70		FDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1cccc(C(N)=O)c1	ZINC000159900577	524762105	/nfs/dbraw/zinc/76/21/05/524762105.db2.gz	GBESACRZZUSKHH-UHFFFAOYSA-N	-1	1	367.409	1.400	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)co1	ZINC000160151289	524819701	/nfs/dbraw/zinc/81/97/01/524819701.db2.gz	OCNYXMUDGAZCMS-ZDUSSCGKSA-N	-1	1	356.444	1.799	20	70		FDIDMM
CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000160751398	524963736	/nfs/dbraw/zinc/96/37/36/524963736.db2.gz	LVZBZINNDTXNCH-OAHLLOKOSA-N	-1	1	366.439	1.601	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2OC(F)F)co1	ZINC000161299952	525073871	/nfs/dbraw/zinc/07/38/71/525073871.db2.gz	SOMMJYIJYPESRJ-UHFFFAOYSA-N	-1	1	360.338	1.719	20	70		FDIDMM
CSc1nc(C)c(CCC(=O)N[C@@H]2CCN(c3ccccn3)C2)c(=O)[n-]1	ZINC000161344259	525085443	/nfs/dbraw/zinc/08/54/43/525085443.db2.gz	GFLXNOQMEKIWDB-CYBMUJFWSA-N	-1	1	373.482	1.523	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C[C@@H](O)c2cccs2)co1	ZINC000161383916	525097340	/nfs/dbraw/zinc/09/73/40/525097340.db2.gz	KCQYGJGIYKYCCP-GXSJLCMTSA-N	-1	1	358.441	1.491	20	70		FDIDMM
O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(=O)N1CC[C@@H](O)C1	ZINC000159519664	524689250	/nfs/dbraw/zinc/68/92/50/524689250.db2.gz	FKPRFICWIUHRIN-PBHICJAKSA-N	-1	1	354.406	1.743	20	70		FDIDMM
CS(=O)(=O)c1nc(NC(=O)c2cc(-c3ccc(F)cc3)on2)n[n-]1	ZINC000160319140	524856667	/nfs/dbraw/zinc/85/66/67/524856667.db2.gz	KNCGUKPXUBMTOP-UHFFFAOYSA-N	-1	1	351.319	1.255	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)CC(=O)c2cccs2)o1	ZINC000160886606	524989903	/nfs/dbraw/zinc/98/99/03/524989903.db2.gz	BFNJHABEYJIEFY-VIFPVBQESA-N	-1	1	356.425	1.641	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)co1	ZINC000160174610	524824135	/nfs/dbraw/zinc/82/41/35/524824135.db2.gz	RXPUWXMZILSJAS-SECBINFHSA-N	-1	1	356.375	1.826	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)co1	ZINC000160554982	524914418	/nfs/dbraw/zinc/91/44/18/524914418.db2.gz	LEKQFCYOMLILDA-UHFFFAOYSA-N	-1	1	374.422	1.646	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(-c2nc(-c3cnn4c3nc(C)cc4C)no2)co1	ZINC000161481376	525116185	/nfs/dbraw/zinc/11/61/85/525116185.db2.gz	WYJBQMZYFIUVJP-UHFFFAOYSA-N	-1	1	374.382	1.564	20	70		FDIDMM
O=S(=O)([N-]C[C@@H](O)COc1ccc(F)cc1)c1cc(F)ccc1F	ZINC000159980943	524779469	/nfs/dbraw/zinc/77/94/69/524779469.db2.gz	BFSVZYIEBKORHG-GFCCVEGCSA-N	-1	1	361.341	1.822	20	70		FDIDMM
Cc1n[nH]c([N-]S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)c1C	ZINC000160476750	524897449	/nfs/dbraw/zinc/89/74/49/524897449.db2.gz	CYGPQHCSLHWOHX-UHFFFAOYSA-N	-1	1	362.415	1.535	20	70		FDIDMM
CC[C@H](O)CN(Cc1ccccc1)C(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000160751306	524965228	/nfs/dbraw/zinc/96/52/28/524965228.db2.gz	LVZBZINNDTXNCH-HNNXBMFYSA-N	-1	1	366.439	1.601	20	70		FDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCO[C@H](c2cccs2)C1	ZINC000161283095	525072362	/nfs/dbraw/zinc/07/23/62/525072362.db2.gz	IOLGCBCPWUKIRT-AWEZNQCLSA-N	-1	1	372.450	1.844	20	70		FDIDMM
CSc1nc(C)c(CCC(=O)N[C@@H]2c3ccccc3C[C@H]2O)c(=O)[n-]1	ZINC000159869268	524758131	/nfs/dbraw/zinc/75/81/31/524758131.db2.gz	UIZXQOWKTMQQDN-GDBMZVCRSA-N	-1	1	359.451	1.507	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)o1	ZINC000160060712	524798909	/nfs/dbraw/zinc/79/89/09/524798909.db2.gz	DELOZSDLSJCYDV-TZMCWYRMSA-N	-1	1	366.439	1.472	20	70		FDIDMM
CCCOc1cccc(CCNC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1	ZINC000160636397	524935645	/nfs/dbraw/zinc/93/56/45/524935645.db2.gz	ANJQYEKJCMPNTG-UHFFFAOYSA-N	-1	1	366.439	1.949	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2n[nH]c3c2cccc3Cl)co1	ZINC000160759406	524967015	/nfs/dbraw/zinc/96/70/15/524967015.db2.gz	FIQUKHBXFPOJHT-UHFFFAOYSA-N	-1	1	354.775	1.970	20	70		FDIDMM
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000161477294	525115398	/nfs/dbraw/zinc/11/53/98/525115398.db2.gz	YLKTUILRFYMMNM-PWSUYJOCSA-N	-1	1	361.446	1.404	20	70		FDIDMM
CCOCCC1(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCC1	ZINC000159580997	524702885	/nfs/dbraw/zinc/70/28/85/524702885.db2.gz	WBZZZAYKANHJHJ-UHFFFAOYSA-N	-1	1	360.458	1.895	20	70		FDIDMM
Cc1c(C(=O)NCCCc2nc(=O)[n-][nH]2)cnn1-c1cc(C)ccc1C	ZINC000159842954	524750754	/nfs/dbraw/zinc/75/07/54/524750754.db2.gz	HBIQKHYNKPDJML-UHFFFAOYSA-N	-1	1	354.414	1.572	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](Cc3nccn3C)C2)co1	ZINC000159691444	524721231	/nfs/dbraw/zinc/72/12/31/524721231.db2.gz	OLSHHVIVLULJIB-GFCCVEGCSA-N	-1	1	366.443	1.016	20	70		FDIDMM
CSc1nc(C)c(CCC(=O)N[C@H]2c3ccccc3C[C@@H]2O)c(=O)[n-]1	ZINC000159869137	524758621	/nfs/dbraw/zinc/75/86/21/524758621.db2.gz	UIZXQOWKTMQQDN-HOCLYGCPSA-N	-1	1	359.451	1.507	20	70		FDIDMM
Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2cc(F)ccc2F)c1	ZINC000159932703	524771269	/nfs/dbraw/zinc/77/12/69/524771269.db2.gz	XHARSPRQJJVJLJ-ZDUSSCGKSA-N	-1	1	357.378	1.991	20	70		FDIDMM
Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2ncn(C)c2Cl)c1	ZINC000159942518	524772681	/nfs/dbraw/zinc/77/26/81/524772681.db2.gz	IJRDCIDGDRVWAW-LLVKDONJSA-N	-1	1	359.835	1.100	20	70		FDIDMM
O=S(=O)([N-]C[C@H](O)COc1ccc(F)cc1)c1cccc(F)c1F	ZINC000159969207	524778435	/nfs/dbraw/zinc/77/84/35/524778435.db2.gz	GQHMDKHEQKATIH-NSHDSACASA-N	-1	1	361.341	1.822	20	70		FDIDMM
NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Br)C1	ZINC000160245479	524838432	/nfs/dbraw/zinc/83/84/32/524838432.db2.gz	WAKHXLLNSQUFKX-YUMQZZPRSA-N	-1	1	367.290	1.833	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc(COC)o2)co1	ZINC000161240362	525061523	/nfs/dbraw/zinc/06/15/23/525061523.db2.gz	VGMPPBMGUDQATM-ZDUSSCGKSA-N	-1	1	368.411	1.904	20	70		FDIDMM
CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161371377	525094262	/nfs/dbraw/zinc/09/42/62/525094262.db2.gz	RGKMEEFRVBMMBB-XJKSGUPXSA-N	-1	1	353.488	1.907	20	70		FDIDMM
Cc1cccc2nc(CNC(=O)Cc3c(C)nc4cc(=O)[nH]n4c3C)[nH]c21	ZINC000160539777	524910319	/nfs/dbraw/zinc/91/03/19/524910319.db2.gz	NJLFLYRNQDWGFM-UHFFFAOYSA-N	-1	1	364.409	1.683	20	70		FDIDMM
Cc1cccc2[nH]c(CNC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)nc21	ZINC000160539777	524910332	/nfs/dbraw/zinc/91/03/32/524910332.db2.gz	NJLFLYRNQDWGFM-UHFFFAOYSA-N	-1	1	364.409	1.683	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc(COC)o2)co1	ZINC000161240234	525062066	/nfs/dbraw/zinc/06/20/66/525062066.db2.gz	VGMPPBMGUDQATM-CYBMUJFWSA-N	-1	1	368.411	1.904	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)co1	ZINC000160450866	524892327	/nfs/dbraw/zinc/89/23/27/524892327.db2.gz	GXCLHHQNSGPFMQ-OTYXRUKQSA-N	-1	1	356.375	1.179	20	70		FDIDMM
Cn1ccc(N2CCC[C@H](O[N-]C(=O)CCCc3ccccc3)C2=O)n1	ZINC000160773327	524969022	/nfs/dbraw/zinc/96/90/22/524969022.db2.gz	HDNLMDMIJAUOIT-INIZCTEOSA-N	-1	1	356.426	1.986	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(-c2nc(CC(=O)NC3CCCCC3)no2)co1	ZINC000161328288	525082374	/nfs/dbraw/zinc/08/23/74/525082374.db2.gz	NQJJDOFOYPRJIP-UHFFFAOYSA-N	-1	1	368.415	1.229	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C[C@@H](O)c2cccs2)co1	ZINC000161383977	525097655	/nfs/dbraw/zinc/09/76/55/525097655.db2.gz	KCQYGJGIYKYCCP-MWLCHTKSSA-N	-1	1	358.441	1.491	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)co1	ZINC000160671315	524944711	/nfs/dbraw/zinc/94/47/11/524944711.db2.gz	NNBKCHGQBKYXLU-NHYWBVRUSA-N	-1	1	364.423	1.652	20	70		FDIDMM
COC[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F	ZINC000160920488	524995568	/nfs/dbraw/zinc/99/55/68/524995568.db2.gz	TXTKOADZMKIYIC-ZCFIWIBFSA-N	-1	1	360.176	1.013	20	70		FDIDMM
O=S(=O)([N-]C[C@@H](O)COc1ccc(F)cc1)c1cccc(F)c1F	ZINC000159969303	524777202	/nfs/dbraw/zinc/77/72/02/524777202.db2.gz	GQHMDKHEQKATIH-LLVKDONJSA-N	-1	1	361.341	1.822	20	70		FDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1OCCc2ccccc21	ZINC000160095788	524808134	/nfs/dbraw/zinc/80/81/34/524808134.db2.gz	QGFBHBKLMZIUMT-GOSISDBHSA-N	-1	1	352.394	1.570	20	70		FDIDMM
C[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)CN1CCOCC1	ZINC000160394933	524878791	/nfs/dbraw/zinc/87/87/91/524878791.db2.gz	DCLPYRCCFXFFKT-SNVBAGLBSA-N	-1	1	352.378	1.351	20	70		FDIDMM
CC(C)(C)c1nsc([N-]c2cnn(CC(=O)N3CCOCC3)c2)n1	ZINC000159623537	524709627	/nfs/dbraw/zinc/70/96/27/524709627.db2.gz	LJKJMGSFYLLGGQ-UHFFFAOYSA-N	-1	1	350.448	1.635	20	70		FDIDMM
CCCCc1cc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)[nH]n1	ZINC000159932984	524771751	/nfs/dbraw/zinc/77/17/51/524771751.db2.gz	GOZSLUZDANIRLI-UHFFFAOYSA-N	-1	1	363.443	1.744	20	70		FDIDMM
Cc1ccc(-c2n[n-]c(NC(=O)Cc3c(C)[nH]c4ccnn4c3=O)n2)o1	ZINC000160316390	524855968	/nfs/dbraw/zinc/85/59/68/524855968.db2.gz	QAFLVADYPOHQDH-UHFFFAOYSA-N	-1	1	353.342	1.199	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)co1	ZINC000160319525	524856982	/nfs/dbraw/zinc/85/69/82/524856982.db2.gz	QUDVLRUMRHOTDN-HNNXBMFYSA-N	-1	1	363.439	1.904	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)co1	ZINC000160671441	524944686	/nfs/dbraw/zinc/94/46/86/524944686.db2.gz	NNBKCHGQBKYXLU-ABAIWWIYSA-N	-1	1	364.423	1.652	20	70		FDIDMM
CCCN(CC(=O)N(C)C)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000160777418	524968806	/nfs/dbraw/zinc/96/88/06/524968806.db2.gz	CHOHRDZQCSBPMO-UHFFFAOYSA-N	-1	1	361.446	1.311	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCCn2ccc3ccccc32)co1	ZINC000159450254	524671230	/nfs/dbraw/zinc/67/12/30/524671230.db2.gz	JPUJQKWTGFCCKL-UHFFFAOYSA-N	-1	1	361.423	1.963	20	70		FDIDMM
COc1cccc(OCCC[N-]S(=O)(=O)c2ncn(C)c2Cl)c1	ZINC000159577377	524699776	/nfs/dbraw/zinc/69/97/76/524699776.db2.gz	VARINGRSKMSNCC-UHFFFAOYSA-N	-1	1	359.835	1.830	20	70		FDIDMM
CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1nccs1	ZINC000159919205	524767020	/nfs/dbraw/zinc/76/70/20/524767020.db2.gz	CRYWFGVXTOCZFI-SNVBAGLBSA-N	-1	1	360.482	1.976	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cc(C)ccc2OC)co1	ZINC000160186208	524825981	/nfs/dbraw/zinc/82/59/81/524825981.db2.gz	HFBKVGBZXOXQBV-LLVKDONJSA-N	-1	1	352.412	1.996	20	70		FDIDMM
O=C(c1ccc(Br)cc1[O-])N1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000160345555	524862402	/nfs/dbraw/zinc/86/24/02/524862402.db2.gz	LABXHBBDSGKQKS-JOYOIKCWSA-N	-1	1	353.216	1.895	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3)nc2)co1	ZINC000161449033	525110762	/nfs/dbraw/zinc/11/07/62/525110762.db2.gz	MZSGGMNCMXDRMU-UHFFFAOYSA-N	-1	1	350.400	1.435	20	70		FDIDMM
O=C([O-])Nc1cccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1	ZINC000217125507	601935583	/nfs/dbraw/zinc/93/55/83/601935583.db2.gz	WOKIZEBINCADCA-GOSISDBHSA-N	-1	1	369.421	1.926	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)o1	ZINC000160326028	524858310	/nfs/dbraw/zinc/85/83/10/524858310.db2.gz	HMEZEZBSRSHULH-LBPRGKRZSA-N	-1	1	356.444	1.799	20	70		FDIDMM
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000161477167	525116697	/nfs/dbraw/zinc/11/66/97/525116697.db2.gz	YLKTUILRFYMMNM-CMPLNLGQSA-N	-1	1	361.446	1.404	20	70		FDIDMM
CC(C)c1cc(C(=O)NCCCc2nc(=O)[n-][nH]2)nn1-c1ccccc1	ZINC000159843091	524750418	/nfs/dbraw/zinc/75/04/18/524750418.db2.gz	HPSLNBXSJFTKFS-UHFFFAOYSA-N	-1	1	354.414	1.770	20	70		FDIDMM
Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000160254480	524840767	/nfs/dbraw/zinc/84/07/67/524840767.db2.gz	IBCMGNZZDHTJBH-UHFFFAOYSA-N	-1	1	358.366	1.965	20	70		FDIDMM
CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000160472817	524898693	/nfs/dbraw/zinc/89/86/93/524898693.db2.gz	LGALEZIAONAWOQ-TXEJJXNPSA-N	-1	1	357.863	1.678	20	70		FDIDMM
Cc1cc(N2CC[C@H](O[N-]C(=O)CCCc3ccccc3)C2=O)n(C)n1	ZINC000160775946	524968302	/nfs/dbraw/zinc/96/83/02/524968302.db2.gz	HYYGRDMPMCNLIZ-INIZCTEOSA-N	-1	1	356.426	1.905	20	70		FDIDMM
O=C(c1ccc(Br)cc1[O-])N1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000160345292	524862909	/nfs/dbraw/zinc/86/29/09/524862909.db2.gz	LABXHBBDSGKQKS-BXKDBHETSA-N	-1	1	353.216	1.895	20	70		FDIDMM
COCCN1C[C@H](C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CC1=O	ZINC000160623468	524931515	/nfs/dbraw/zinc/93/15/15/524931515.db2.gz	RZPDNBIFNLDBDG-GFCCVEGCSA-N	-1	1	360.332	1.748	20	70		FDIDMM
CS(=O)(=O)Nc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccc1F	ZINC000160859886	524985861	/nfs/dbraw/zinc/98/58/61/524985861.db2.gz	NPUNEFGWQUCEBC-UHFFFAOYSA-N	-1	1	367.284	1.586	20	70		FDIDMM
O=C([N-]CC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)C(F)(F)F	ZINC000216736419	258395040	/nfs/dbraw/zinc/39/50/40/258395040.db2.gz	ZNIMKGLWSOPDRH-UHFFFAOYSA-N	-1	1	358.316	1.946	20	70		FDIDMM
NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Br)C1	ZINC000160245617	524839129	/nfs/dbraw/zinc/83/91/29/524839129.db2.gz	WAKHXLLNSQUFKX-HTQZYQBOSA-N	-1	1	367.290	1.833	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ccccc3)c2C)co1	ZINC000160718008	524956391	/nfs/dbraw/zinc/95/63/91/524956391.db2.gz	SBPICKMYAHDENZ-UHFFFAOYSA-N	-1	1	360.395	1.934	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCOc2ccccc2C)co1	ZINC000160828400	524978669	/nfs/dbraw/zinc/97/86/69/524978669.db2.gz	UGMNJUBZGNRPKI-UHFFFAOYSA-N	-1	1	352.412	1.647	20	70		FDIDMM
Cc1cc(C[C@H](C)NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)[nH]n1	ZINC000161414123	525103574	/nfs/dbraw/zinc/10/35/74/525103574.db2.gz	JPRLQGZKPOLXKQ-JTQLQIEISA-N	-1	1	356.430	1.763	20	70		FDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)C[C@H](O)c1ccccc1	ZINC000159390308	524660439	/nfs/dbraw/zinc/66/04/39/524660439.db2.gz	KYPQKNINPNFISQ-SJCJKPOMSA-N	-1	1	368.437	1.810	20	70		FDIDMM
CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000159764978	524735187	/nfs/dbraw/zinc/73/51/87/524735187.db2.gz	BKTYLICCOHLINS-CHWSQXEVSA-N	-1	1	358.460	1.853	20	70		FDIDMM
COC(=O)c1sc2[nH]c(C[N@H+](C)C[C@H]3CCC[C@@H]3O)nc(=O)c2c1C	ZINC000159805288	524740733	/nfs/dbraw/zinc/74/07/33/524740733.db2.gz	MJFOSPUTBAHRCF-MNOVXSKESA-N	-1	1	365.455	1.672	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C[C@H](O)c2ccc(F)cc2)co1	ZINC000159922727	524769532	/nfs/dbraw/zinc/76/95/32/524769532.db2.gz	WRHQZUVOSRUAFQ-HZMBPMFUSA-N	-1	1	370.402	1.569	20	70		FDIDMM
CCC1(CC)[C@H](N(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)C[C@@H]1OC	ZINC000159764797	524735156	/nfs/dbraw/zinc/73/51/56/524735156.db2.gz	BKTYLICCOHLINS-OLZOCXBDSA-N	-1	1	358.460	1.853	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCc2cc(C)ccc2OC)co1	ZINC000160217833	524832405	/nfs/dbraw/zinc/83/24/05/524832405.db2.gz	ZXJOZIHOTHQRJS-UHFFFAOYSA-N	-1	1	352.412	1.477	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)co1	ZINC000161426716	525107152	/nfs/dbraw/zinc/10/71/52/525107152.db2.gz	AAUSUASOYNAQJY-HNNXBMFYSA-N	-1	1	364.423	1.431	20	70		FDIDMM
COc1ccccc1OCC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC000216736013	258395282	/nfs/dbraw/zinc/39/52/82/258395282.db2.gz	YYJSNXOOFKXSSW-UHFFFAOYSA-N	-1	1	374.359	1.991	20	70		FDIDMM
Cc1ccc2c([O-])c(C(=O)N3CCC(Cn4ccnn4)CC3)cnc2n1	ZINC000159490704	524683905	/nfs/dbraw/zinc/68/39/05/524683905.db2.gz	GGJOJFGFWMDILQ-UHFFFAOYSA-N	-1	1	352.398	1.788	20	70		FDIDMM
Cc1ccc2c(=O)c(C(=O)N3CCC(Cn4ccnn4)CC3)c[n-]c2n1	ZINC000159490704	524683916	/nfs/dbraw/zinc/68/39/16/524683916.db2.gz	GGJOJFGFWMDILQ-UHFFFAOYSA-N	-1	1	352.398	1.788	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccc(Cl)cc2)co1	ZINC000159653490	524715595	/nfs/dbraw/zinc/71/55/95/524715595.db2.gz	BJYROKIGRMIKLQ-UHFFFAOYSA-N	-1	1	358.803	1.650	20	70		FDIDMM
C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(N)=O	ZINC000159731577	524728879	/nfs/dbraw/zinc/72/88/79/524728879.db2.gz	UNMUJVPIFXCVCB-SCSAIBSYSA-N	-1	1	359.604	1.394	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2-n2ccc(C)n2)co1	ZINC000160017499	524790619	/nfs/dbraw/zinc/79/06/19/524790619.db2.gz	XPRDDLSPQUVWNZ-UHFFFAOYSA-N	-1	1	374.422	1.612	20	70		FDIDMM
NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Br)C1	ZINC000160245358	524838381	/nfs/dbraw/zinc/83/83/81/524838381.db2.gz	WAKHXLLNSQUFKX-JGVFFNPUSA-N	-1	1	367.290	1.833	20	70		FDIDMM
O=C(c1ccc(Br)cc1[O-])N1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000160345679	524862046	/nfs/dbraw/zinc/86/20/46/524862046.db2.gz	LABXHBBDSGKQKS-CABZTGNLSA-N	-1	1	353.216	1.895	20	70		FDIDMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(C)n1	ZINC000160667828	524942218	/nfs/dbraw/zinc/94/22/18/524942218.db2.gz	DBXOGFBRPAQQLE-UHFFFAOYSA-N	-1	1	362.411	1.390	20	70		FDIDMM
CCC(=O)N1CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1	ZINC000160718973	524957020	/nfs/dbraw/zinc/95/70/20/524957020.db2.gz	QQDFLVDADKFWDQ-UHFFFAOYSA-N	-1	1	373.457	1.455	20	70		FDIDMM
CS(=O)(=O)[N-]c1nnc(NC(=O)c2c(F)cc(F)cc2F)s1	ZINC000161410838	525103322	/nfs/dbraw/zinc/10/33/22/525103322.db2.gz	SSUPSIWPLRHLQA-UHFFFAOYSA-N	-1	1	352.319	1.579	20	70		FDIDMM
O=C(NCCCc1nc(=O)[n-][nH]1)c1ccc(Br)c(Cl)c1	ZINC000159844059	524751071	/nfs/dbraw/zinc/75/10/71/524751071.db2.gz	ZZPGVXVMOIFWNK-UHFFFAOYSA-N	-1	1	359.611	1.877	20	70		FDIDMM
Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2ncn(C)c2Cl)c1	ZINC000159942654	524772578	/nfs/dbraw/zinc/77/25/78/524772578.db2.gz	IJRDCIDGDRVWAW-NSHDSACASA-N	-1	1	359.835	1.100	20	70		FDIDMM
Cc1nn(C)c(C)c1CCNC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C	ZINC000160011259	524789236	/nfs/dbraw/zinc/78/92/36/524789236.db2.gz	CYGBFMYLGVMUOW-UHFFFAOYSA-N	-1	1	370.457	1.694	20	70		FDIDMM
CNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br	ZINC000160076291	524802334	/nfs/dbraw/zinc/80/23/34/524802334.db2.gz	OXVHGPGPUPOXPK-YFKPBYRVSA-N	-1	1	373.631	1.654	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)co1	ZINC000160451124	524891516	/nfs/dbraw/zinc/89/15/16/524891516.db2.gz	GXCLHHQNSGPFMQ-YMTOWFKASA-N	-1	1	356.375	1.179	20	70		FDIDMM
CC(C)OCCS(=O)(=O)[N-]C[C@](O)(c1ccccc1)C(F)(F)F	ZINC000160883605	524990551	/nfs/dbraw/zinc/99/05/51/524990551.db2.gz	VTFZHINCLFWOCZ-ZDUSSCGKSA-N	-1	1	355.378	1.781	20	70		FDIDMM
CSc1nc(C)c(CCC(=O)N[C@H]2CCN(c3ccccn3)C2)c(=O)[n-]1	ZINC000161344376	525085183	/nfs/dbraw/zinc/08/51/83/525085183.db2.gz	GFLXNOQMEKIWDB-ZDUSSCGKSA-N	-1	1	373.482	1.523	20	70		FDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)C[C@@H](O)c1ccccc1	ZINC000159390711	524660624	/nfs/dbraw/zinc/66/06/24/524660624.db2.gz	KYPQKNINPNFISQ-SJKOYZFVSA-N	-1	1	368.437	1.810	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cc(C)ccc2OC)co1	ZINC000160186320	524826704	/nfs/dbraw/zinc/82/67/04/524826704.db2.gz	HFBKVGBZXOXQBV-NSHDSACASA-N	-1	1	352.412	1.996	20	70		FDIDMM
O=C(NC1(CO)CC1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000160495944	524902605	/nfs/dbraw/zinc/90/26/05/524902605.db2.gz	UAPFMHHMZVESNN-UHFFFAOYSA-N	-1	1	364.398	1.881	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(-n3cccn3)cc2)co1	ZINC000161311163	525078320	/nfs/dbraw/zinc/07/83/20/525078320.db2.gz	GUIOXNVJCCMMML-UHFFFAOYSA-N	-1	1	374.422	1.346	20	70		FDIDMM
NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Br)C1	ZINC000160245758	524838589	/nfs/dbraw/zinc/83/85/89/524838589.db2.gz	WAKHXLLNSQUFKX-SFYZADRCSA-N	-1	1	367.290	1.833	20	70		FDIDMM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(Cl)c(=O)n(C)c1	ZINC000160256478	524844109	/nfs/dbraw/zinc/84/41/09/524844109.db2.gz	FZUQBINAINNNEZ-UHFFFAOYSA-N	-1	1	351.215	1.535	20	70		FDIDMM
CC(C)c1cc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)[nH]n1	ZINC000160639017	524935167	/nfs/dbraw/zinc/93/51/67/524935167.db2.gz	RWRAZOVGOXISML-UHFFFAOYSA-N	-1	1	361.420	1.877	20	70		FDIDMM
CC(C)c1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)[nH]n1	ZINC000160654560	524939322	/nfs/dbraw/zinc/93/93/22/524939322.db2.gz	XMOQOHLKLLEQCA-UHFFFAOYSA-N	-1	1	357.457	1.879	20	70		FDIDMM
O=C(NCCC[N-]S(=O)(=O)c1cccc(F)c1F)c1cccc(O)c1	ZINC000160739248	524960647	/nfs/dbraw/zinc/96/06/47/524960647.db2.gz	RJDYRYIMIWXKQE-UHFFFAOYSA-N	-1	1	370.377	1.769	20	70		FDIDMM
C[C@H](CO)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-]	ZINC000159618488	524709171	/nfs/dbraw/zinc/70/91/71/524709171.db2.gz	RUCISINTSNZLII-SUMWQHHRSA-N	-1	1	356.422	1.895	20	70		FDIDMM
CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1coc(S(=O)(=O)[N-]C)c1	ZINC000159764875	524734187	/nfs/dbraw/zinc/73/41/87/524734187.db2.gz	BKTYLICCOHLINS-STQMWFEESA-N	-1	1	358.460	1.853	20	70		FDIDMM
O=C(c1ccc(Br)c([O-])c1)N1CCN(c2cnccn2)CC1	ZINC000159806339	524743800	/nfs/dbraw/zinc/74/38/00/524743800.db2.gz	CQSMATUNFHXUEK-UHFFFAOYSA-N	-1	1	363.215	1.907	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccs3)C2)o1	ZINC000161421203	525104860	/nfs/dbraw/zinc/10/48/60/525104860.db2.gz	LSJZZTMTHICQMN-LLVKDONJSA-N	-1	1	356.425	1.463	20	70		FDIDMM
C[C@@H](CS(C)(=O)=O)CS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1	ZINC000160367519	524869768	/nfs/dbraw/zinc/86/97/68/524869768.db2.gz	FXVANILNGBVDGJ-NSHDSACASA-N	-1	1	363.505	1.382	20	70		FDIDMM
Cc1ccc(-c2nc(NC(=O)Cc3c(C)nc4cc(=O)[n-]n4c3C)n[nH]2)o1	ZINC000160424296	524884599	/nfs/dbraw/zinc/88/45/99/524884599.db2.gz	UOMUDSBGTHVWRK-UHFFFAOYSA-N	-1	1	367.369	1.507	20	70		FDIDMM
Cn1cnc(S(=O)(=O)[N-][C@H](CO)Cc2c[nH]c3ccccc23)c1Cl	ZINC000161260714	525067036	/nfs/dbraw/zinc/06/70/36/525067036.db2.gz	AUACKBXCDGFFTK-NSHDSACASA-N	-1	1	368.846	1.437	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC2([C@H](O)c3ccccc3)CC2)co1	ZINC000161426620	525106960	/nfs/dbraw/zinc/10/69/60/525106960.db2.gz	AAUSUASOYNAQJY-OAHLLOKOSA-N	-1	1	364.423	1.431	20	70		FDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)CCOCc1ccccc1	ZINC000161434116	525109072	/nfs/dbraw/zinc/10/90/72/525109072.db2.gz	LSVYRMRDLIHGFM-UHFFFAOYSA-N	-1	1	368.437	1.857	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)o1	ZINC000160060472	524799392	/nfs/dbraw/zinc/79/93/92/524799392.db2.gz	DELOZSDLSJCYDV-OCCSQVGLSA-N	-1	1	366.439	1.472	20	70		FDIDMM
Cc1nc(-c2ccc(N3CCC(n4ccnn4)CC3)nc2)[n-]c(=O)c1C	ZINC000160208401	524831240	/nfs/dbraw/zinc/83/12/40/524831240.db2.gz	DHFJIFZPYJNSRC-UHFFFAOYSA-N	-1	1	351.414	1.882	20	70		FDIDMM
CCOc1cccc(CCNC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1	ZINC000160659846	524940035	/nfs/dbraw/zinc/94/00/35/524940035.db2.gz	DMOHZWDWRXCDDH-UHFFFAOYSA-N	-1	1	352.412	1.559	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)co1	ZINC000160275519	524848356	/nfs/dbraw/zinc/84/83/56/524848356.db2.gz	WTGSWXHEZUOENB-UHFFFAOYSA-N	-1	1	364.423	1.946	20	70		FDIDMM
Cn1ccc(N2CCC[C@@H](O[N-]C(=O)CCCc3ccccc3)C2=O)n1	ZINC000160773461	524969328	/nfs/dbraw/zinc/96/93/28/524969328.db2.gz	HDNLMDMIJAUOIT-MRXNPFEDSA-N	-1	1	356.426	1.986	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)N(C)CCOCc2ccccc2)o1	ZINC000159378568	173675610	/nfs/dbraw/zinc/67/56/10/173675610.db2.gz	ZLRQCSZICFEEJK-UHFFFAOYSA-N	-1	1	352.412	1.477	20	70		FDIDMM
Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c[nH]c1=O	ZINC000159628739	524710361	/nfs/dbraw/zinc/71/03/61/524710361.db2.gz	UFPTVVJOOPAMON-UHFFFAOYSA-N	-1	1	353.400	1.605	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)co1	ZINC000160319650	524856356	/nfs/dbraw/zinc/85/63/56/524856356.db2.gz	QUDVLRUMRHOTDN-OAHLLOKOSA-N	-1	1	363.439	1.904	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cccc(N(C)C)c2)co1	ZINC000160538037	524910124	/nfs/dbraw/zinc/91/01/24/524910124.db2.gz	LPWMRNLYSWTDQG-UHFFFAOYSA-N	-1	1	351.428	1.526	20	70		FDIDMM
O=C(NC1(CO)CC1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000160250165	524841010	/nfs/dbraw/zinc/84/10/10/524841010.db2.gz	LXKRZCXMCRQNMV-UHFFFAOYSA-N	-1	1	364.398	1.881	20	70		FDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCC(=O)N1CCCCC1	ZINC000160529100	524907405	/nfs/dbraw/zinc/90/74/05/524907405.db2.gz	WTALUACMZBQELR-UHFFFAOYSA-N	-1	1	373.457	1.503	20	70		FDIDMM
O=S(=O)([N-]C[C@H](O)COCC1CC1)c1sccc1Br	ZINC000160657644	524939084	/nfs/dbraw/zinc/93/90/84/524939084.db2.gz	KJCUYHURVVVRAG-VIFPVBQESA-N	-1	1	370.290	1.576	20	70		FDIDMM
Cc1cc(C[C@@H](C)NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)[nH]n1	ZINC000161414007	525102799	/nfs/dbraw/zinc/10/27/99/525102799.db2.gz	JPRLQGZKPOLXKQ-SNVBAGLBSA-N	-1	1	356.430	1.763	20	70		FDIDMM
CCN(CCNC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1cccc(C)c1	ZINC000160340789	173707782	/nfs/dbraw/zinc/70/77/82/173707782.db2.gz	UVANCHHLKGCKDY-UHFFFAOYSA-N	-1	1	365.455	1.752	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCCn2cnc3ccccc32)co1	ZINC000159707488	524725403	/nfs/dbraw/zinc/72/54/03/524725403.db2.gz	UCFDUKDBPHNXGA-UHFFFAOYSA-N	-1	1	362.411	1.358	20	70		FDIDMM
CC[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1nccs1	ZINC000159919068	524767547	/nfs/dbraw/zinc/76/75/47/524767547.db2.gz	CRYWFGVXTOCZFI-JTQLQIEISA-N	-1	1	360.482	1.976	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccnn2Cc2ccccc2)co1	ZINC000160693303	524949104	/nfs/dbraw/zinc/94/91/04/524949104.db2.gz	LPPHWJUWDAUASW-UHFFFAOYSA-N	-1	1	360.395	1.685	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2Cn2cccn2)co1	ZINC000161191169	525050864	/nfs/dbraw/zinc/05/08/64/525050864.db2.gz	PFASUVSKXRHJRR-UHFFFAOYSA-N	-1	1	374.422	1.363	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCOc2ccc(F)cc2)co1	ZINC000160787887	524970292	/nfs/dbraw/zinc/97/02/92/524970292.db2.gz	UGNQIXDMUZIONW-UHFFFAOYSA-N	-1	1	356.375	1.478	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)co1	ZINC000161223058	525057706	/nfs/dbraw/zinc/05/77/06/525057706.db2.gz	RFBSFICICWAJJP-LBPRGKRZSA-N	-1	1	352.416	1.071	20	70		FDIDMM
C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(N)=O	ZINC000159731446	524729149	/nfs/dbraw/zinc/72/91/49/524729149.db2.gz	UNMUJVPIFXCVCB-BYPYZUCNSA-N	-1	1	359.604	1.394	20	70		FDIDMM
COCCn1cc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cn1	ZINC000160548741	524913134	/nfs/dbraw/zinc/91/31/34/524913134.db2.gz	PYUZEPFVSNBRBN-UHFFFAOYSA-N	-1	1	358.402	1.466	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)co1	ZINC000161222935	525058758	/nfs/dbraw/zinc/05/87/58/525058758.db2.gz	RFBSFICICWAJJP-GFCCVEGCSA-N	-1	1	352.416	1.071	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)c2cccc(OC)c2)co1	ZINC000161291012	525074611	/nfs/dbraw/zinc/07/46/11/525074611.db2.gz	BXQFSUPAXMENPY-UHFFFAOYSA-N	-1	1	366.439	1.904	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C[C@H](O)c2cccs2)co1	ZINC000161383808	525097221	/nfs/dbraw/zinc/09/72/21/525097221.db2.gz	KCQYGJGIYKYCCP-KOLCDFICSA-N	-1	1	358.441	1.491	20	70		FDIDMM
COCCS(=O)(=O)[N-]c1cnc(Br)c(Br)c1	ZINC000161025234	525019595	/nfs/dbraw/zinc/01/95/95/525019595.db2.gz	AJZRPRPSJJYQEF-UHFFFAOYSA-N	-1	1	374.054	1.995	20	70		FDIDMM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CC(O)C1	ZINC000161439385	525109055	/nfs/dbraw/zinc/10/90/55/525109055.db2.gz	DPNWQYSZGUEDSZ-UHFFFAOYSA-N	-1	1	350.371	1.443	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(-c2nc(CC(=O)Nc3ccccc3)no2)co1	ZINC000161485190	525118045	/nfs/dbraw/zinc/11/80/45/525118045.db2.gz	RKIUSTCICHBALQ-UHFFFAOYSA-N	-1	1	362.367	1.419	20	70		FDIDMM
O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	ZINC000771830062	978743933	/nfs/dbraw/zinc/74/39/33/978743933.db2.gz	PUFMJGSJJDIREU-UHFFFAOYSA-N	-1	1	373.383	1.773	20	70		FDIDMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)C[C@H](O)c1ccccc1	ZINC000159390423	524659685	/nfs/dbraw/zinc/65/96/85/524659685.db2.gz	KYPQKNINPNFISQ-PXAZEXFGSA-N	-1	1	368.437	1.810	20	70		FDIDMM
COc1ccsc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cn1	ZINC000159726311	524727836	/nfs/dbraw/zinc/72/78/36/524727836.db2.gz	WWUTWQGMELXEBJ-UHFFFAOYSA-N	-1	1	368.484	1.704	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(OC)c(Cl)c2)co1	ZINC000159853986	524752744	/nfs/dbraw/zinc/75/27/44/524752744.db2.gz	NQUDTGNYVFOLPN-UHFFFAOYSA-N	-1	1	358.803	1.780	20	70		FDIDMM
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)o1	ZINC000160060589	524799856	/nfs/dbraw/zinc/79/98/56/524799856.db2.gz	DELOZSDLSJCYDV-GXTWGEPZSA-N	-1	1	366.439	1.472	20	70		FDIDMM
CCNS(=O)(=O)c1ccc(CNC(=O)c2cc(F)ccc2[O-])cc1	ZINC000160485941	524899653	/nfs/dbraw/zinc/89/96/53/524899653.db2.gz	AKIJBCZGFUIAPB-UHFFFAOYSA-N	-1	1	352.387	1.760	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)co1	ZINC000161349607	525086994	/nfs/dbraw/zinc/08/69/94/525086994.db2.gz	SNNLKFHGQNTGMZ-UHFFFAOYSA-N	-1	1	374.422	1.346	20	70		FDIDMM
O=S(=O)([N-]c1cccc(OCCF)c1)c1cccc(-n2cnnn2)c1	ZINC000161201537	525053220	/nfs/dbraw/zinc/05/32/20/525053220.db2.gz	LPEVNLIKUYMBJJ-UHFFFAOYSA-N	-1	1	363.374	1.811	20	70		FDIDMM
Cc1cc(N2CC[C@@H](O[N-]C(=O)CCCc3ccccc3)C2=O)n(C)n1	ZINC000160776064	524969179	/nfs/dbraw/zinc/96/91/79/524969179.db2.gz	HYYGRDMPMCNLIZ-MRXNPFEDSA-N	-1	1	356.426	1.905	20	70		FDIDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCOc2cccc(C)c2)co1	ZINC000160832525	524980314	/nfs/dbraw/zinc/98/03/14/524980314.db2.gz	DBDFITPMZFNZHF-UHFFFAOYSA-N	-1	1	352.412	1.647	20	70		FDIDMM
CC(C)OCCS(=O)(=O)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F	ZINC000160883478	524990368	/nfs/dbraw/zinc/99/03/68/524990368.db2.gz	VTFZHINCLFWOCZ-CYBMUJFWSA-N	-1	1	355.378	1.781	20	70		FDIDMM
CC(=O)NC[C@@H]1CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1	ZINC000161443904	525109855	/nfs/dbraw/zinc/10/98/55/525109855.db2.gz	FVLOPIYTGRGRGF-HNNXBMFYSA-N	-1	1	373.457	1.359	20	70		FDIDMM