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)C[C@@H](O)CN(S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)[C@H]1C(=O)N[O-]	ZINC000003817507	561682947	/nfs/dbraw/zinc/68/29/47/561682947.db2.gz	GBGAKFWYCGVPHY-BEFAXECRSA-N	-1	3	503.404	3.228	1	30		KGEFHM
COc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c(C(=O)[N-]O)c1OC	ZINC000003817594	561683042	/nfs/dbraw/zinc/68/30/42/561683042.db2.gz	JVWFOTNQRDMUFU-UHFFFAOYSA-N	-1	3	504.483	3.074	1	30		KGEFHM
CCC[C@H]1C(=O)N([C@@H](Cc2ccc(OC)cc2)C(=O)NCCCCCC(=O)N[O-])C(=O)[C@@H]1CC(C)C	ZINC000003817907	561683144	/nfs/dbraw/zinc/68/31/44/561683144.db2.gz	ILEINYPSCJRASR-ZLNRFVROSA-N	-1	3	503.640	3.236	1	30		KGEFHM
CC(C)C[C@@H](C(=O)N1CCCCC1)[C@H](CN(C)S(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)N[O-]	ZINC000003821545	561683285	/nfs/dbraw/zinc/68/32/85/561683285.db2.gz	OHZMUNMVWGUMMY-PKTZIBPZSA-N	-1	3	532.707	3.323	1	30		KGEFHM
CCCc1ccc(CC[C@H]2C(=O)N[C@H](C(=O)NC)Cc3ccc(cc3)OCCCC[C@@H]2C(=O)N[O-])cc1	ZINC000003821631	561683265	/nfs/dbraw/zinc/68/32/65/561683265.db2.gz	RGQWTGAVFAYQEF-NXCFDTQHSA-N	-1	3	509.647	3.346	1	30		KGEFHM
COc1ccc(CCN(CCC(=O)N[O-])S(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1	ZINC000003925232	561686426	/nfs/dbraw/zinc/68/64/26/561686426.db2.gz	RTOXIYMJLZFAIX-UHFFFAOYSA-N	-1	3	526.615	3.146	1	30		KGEFHM
CC[C@H]1OC(=O)C(C)=C([O-])[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)C=C[C@H]1C	ZINC000008436989	561705585	/nfs/dbraw/zinc/70/55/85/561705585.db2.gz	OXFYAOOMMKGGAI-JLTOUBQASA-N	-1	3	509.684	3.398	1	30	in-vitro	KGEFHM
Cc1cc(S(=O)(=O)[N-]/C(=N/S(=O)(=O)c2ccc(Cl)cc2)[n+]2ccc(N(C)C)cc2)c(SCC(=O)[O-])cc1Cl	ZINC000008576140	561705682	/nfs/dbraw/zinc/70/56/82/561705682.db2.gz	SVPTYJLKPKFWIP-UHFFFAOYSA-O	-1	3	618.566	3.404	1	30		KGEFHM
C[C@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000010450249	561709312	/nfs/dbraw/zinc/70/93/12/561709312.db2.gz	UTERPWJSMDDIGY-SSDOTTSWSA-N	-1	3	521.314	3.046	1	30		KGEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000010450250	561709342	/nfs/dbraw/zinc/70/93/42/561709342.db2.gz	UTERPWJSMDDIGY-ZETCQYMHSA-N	-1	3	521.314	3.046	1	30		KGEFHM
C[C@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000010450257	561709308	/nfs/dbraw/zinc/70/93/08/561709308.db2.gz	UGZOJBSDACNWAB-SSDOTTSWSA-N	-1	3	521.314	3.046	1	30		KGEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000010450258	561709315	/nfs/dbraw/zinc/70/93/15/561709315.db2.gz	UGZOJBSDACNWAB-ZETCQYMHSA-N	-1	3	521.314	3.046	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](Cc2cccs2)C(=O)N[O-])cc1	ZINC000013440839	561712585	/nfs/dbraw/zinc/71/25/85/561712585.db2.gz	MRYVXNUFJHOKEZ-OAQYLSRUSA-N	-1	3	505.574	3.281	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2cc(F)c(F)cc2F)[C@H](Cc2cccs2)C(=O)N[O-])cc1	ZINC000013440851	561712609	/nfs/dbraw/zinc/71/26/09/561712609.db2.gz	RVAILVGJCBOFDI-HXUWFJFHSA-N	-1	3	500.520	3.482	1	30		KGEFHM
CCOc1cc(COc2ccc3c(c2)NCCN([C@@H](C(=O)N[O-])C(C)C)S3(=O)=O)cc(OCC)c1	ZINC000013518162	561716973	/nfs/dbraw/zinc/71/69/73/561716973.db2.gz	WJPORLWHPJGLSC-HSZRJFAPSA-N	-1	3	507.609	3.009	1	30		KGEFHM
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CC#CCOCc1ccc([O-])c(C(N)=O)c1	ZINC000013529869	561717594	/nfs/dbraw/zinc/71/75/94/561717594.db2.gz	QBNJONOASBEBHT-UHFFFAOYSA-N	-1	3	514.460	3.149	1	30		KGEFHM
Cc1ccccc1COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C)[C@@H]2C(=O)N[O-])cc1	ZINC000013553164	561718279	/nfs/dbraw/zinc/71/82/79/561718279.db2.gz	NKDZJRDULDIJON-HFZDXXHNSA-N	-1	3	509.628	3.343	1	30		KGEFHM
CC#CCOc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(Cc3ccc(Br)cc3)CC2)cc1	ZINC000013586041	561720427	/nfs/dbraw/zinc/72/04/27/561720427.db2.gz	MNQFMKHWJNOSIX-UHFFFAOYSA-N	-1	3	521.433	3.165	1	30		KGEFHM
Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C(=O)C4CC4)C[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000013587717	561720927	/nfs/dbraw/zinc/72/09/27/561720927.db2.gz	TZGDIJWAFCVLEH-ZEQRLZLVSA-N	-1	3	502.571	3.441	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)N[O-])cc1NC(=O)OC(C)(C)C	ZINC000013840101	561734518	/nfs/dbraw/zinc/73/45/18/561734518.db2.gz	OJRVMIQQALPZAF-AWEZNQCLSA-N	-1	3	524.552	3.035	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)N[O-])cc1NC(=O)OC(C)(C)C	ZINC000013863170	561734997	/nfs/dbraw/zinc/73/49/97/561734997.db2.gz	UEBZJKSEKXSFTN-AWEZNQCLSA-N	-1	3	524.552	3.035	1	30		KGEFHM
CCCCNS(=O)(=O)c1ccccc1-c1ccc(C[C@H](CC(=O)N[O-])C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1	ZINC000025985259	561764150	/nfs/dbraw/zinc/76/41/50/561764150.db2.gz	BLYOONREWFOUNV-FIYSCABWSA-N	-1	3	565.692	3.261	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCNC(=O)c2ccccc2-n2cccc2)C(=O)N[O-])cc1	ZINC000026176077	561770855	/nfs/dbraw/zinc/77/08/55/561770855.db2.gz	SFZSTGMKYWNLKB-AREMUKBSSA-N	-1	3	606.657	3.100	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCCNC(=O)OCc2ccc([N+](=O)[O-])cc2)C(=O)N[O-])cc1	ZINC000026184917	561772411	/nfs/dbraw/zinc/77/24/11/561772411.db2.gz	VORSTQVXEBKOMJ-XMMPIXPASA-N	-1	3	630.632	3.104	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCCNC(=O)OCc2cccc([N+](=O)[O-])c2)C(=O)N[O-])cc1	ZINC000026184922	561772387	/nfs/dbraw/zinc/77/23/87/561772387.db2.gz	RUMUKTZVMSCDHQ-XMMPIXPASA-N	-1	3	630.632	3.104	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCNC(=O)c2c(C)onc2-c2ccccc2)C(=O)N[O-])cc1	ZINC000026185332	561772479	/nfs/dbraw/zinc/77/24/79/561772479.db2.gz	VCIIXBZKEIWJLZ-XMMPIXPASA-N	-1	3	622.656	3.272	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCCNC(=O)NCc2cccc(C)c2)C(=O)N[O-])cc1	ZINC000026186225	561772626	/nfs/dbraw/zinc/77/26/26/561772626.db2.gz	IYTWFVDOTQEDQA-RUZDIDTESA-N	-1	3	598.678	3.077	1	30		KGEFHM
CNC(=O)[C@@H]1Cc2ccc(cc2)OCCCC[C@H](C(=O)N[O-])[C@@H](CCCCOCc2ccccc2)C(=O)N1	ZINC000026187242	561772854	/nfs/dbraw/zinc/77/28/54/561772854.db2.gz	CIQJGNDHWOIZCK-ZNZIZOMTSA-N	-1	3	525.646	3.148	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCCCNC(=O)c2ccccc2)C(=O)N[O-])cc1	ZINC000026252708	561774441	/nfs/dbraw/zinc/77/44/41/561774441.db2.gz	AVKMHEGAXAZNPQ-XMMPIXPASA-N	-1	3	569.636	3.089	1	30		KGEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccc(O)cc1	ZINC000026286131	561779709	/nfs/dbraw/zinc/77/97/09/561779709.db2.gz	BAIUIZQDBMFOMK-AOYPEHQESA-N	-1	3	505.615	3.489	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)N[O-])cc1NC(=O)OC(C)(C)C	ZINC000026377565	561782481	/nfs/dbraw/zinc/78/24/81/561782481.db2.gz	UEBZJKSEKXSFTN-CQSZACIVSA-N	-1	3	524.552	3.035	1	30		KGEFHM
O=C(CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)N[O-])NCCCCN1CCOCC1	ZINC000026387137	561784687	/nfs/dbraw/zinc/78/46/87/561784687.db2.gz	ARCVMPXMLFTEBX-PXJZQJOASA-N	-1	3	650.261	3.365	1	30		KGEFHM
CN=C(N[C@@H](Cc1ccc(-c2c(OC)cccc2OC)cc1)C(=O)[O-])[C@@H]1CCN1S(=O)(=O)c1ccccc1	ZINC000026391597	561785962	/nfs/dbraw/zinc/78/59/62/561785962.db2.gz	VHCXDXCCKVQHGO-GOTSBHOMSA-N	-1	3	537.638	3.448	1	30		KGEFHM
NS(=O)(=O)c1ccc(CCNC(=O)CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(=O)N[O-])cc1	ZINC000026396946	561787256	/nfs/dbraw/zinc/78/72/56/561787256.db2.gz	BUFVDSAQIYWDGD-UHSQPCAPSA-N	-1	3	692.279	3.142	1	30		KGEFHM
Cc1ccc(CCC[C@H](CC(=O)N[O-])C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCCCN2CCOCC2)cc1	ZINC000026397998	561787568	/nfs/dbraw/zinc/78/75/68/561787568.db2.gz	RHQDIPUHXQNFIY-IHLOFXLRSA-N	-1	3	629.843	3.020	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N(CCC#N)Cc2ccccc2)C(=O)N[O-])cc1	ZINC000026402514	561788756	/nfs/dbraw/zinc/78/87/56/561788756.db2.gz	ZTPILGZHTKPAJG-AREMUKBSSA-N	-1	3	608.673	3.211	1	30		KGEFHM
COCCOc1cccc(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c1C(=O)[N-]O	ZINC000026495260	561794221	/nfs/dbraw/zinc/79/42/21/561794221.db2.gz	DOCKNIJXKGCWQV-UHFFFAOYSA-N	-1	3	518.510	3.082	1	30		KGEFHM
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[O-]	ZINC000026500964	561795450	/nfs/dbraw/zinc/79/54/50/561795450.db2.gz	ZFYXDWJUTUKHSL-WXYGLEJPSA-N	-1	3	620.732	3.226	1	30		KGEFHM
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[O-]	ZINC000026500967	561795476	/nfs/dbraw/zinc/79/54/76/561795476.db2.gz	ZFYXDWJUTUKHSL-QVKLTZRHSA-N	-1	3	620.732	3.226	1	30		KGEFHM
CC[C@@H](C)[C@@H](NC(=O)OCc1cccc(C(F)(F)F)c1)C(=O)N[C@H](Cc1cscn1)C(=O)N[O-]	ZINC000026501254	561795587	/nfs/dbraw/zinc/79/55/87/561795587.db2.gz	BIIYBJBRUNFSSR-CSMYWGQOSA-N	-1	3	502.515	3.036	1	30		KGEFHM
CC[C@@H](C)[C@@H](NC(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)N[C@H](Cc1cscn1)C(=O)N[O-]	ZINC000026502924	561795888	/nfs/dbraw/zinc/79/58/88/561795888.db2.gz	QIEUCDVYVUAQQV-SSKCKEOISA-N	-1	3	503.408	3.324	1	30		KGEFHM
COc1ccc(OC)c(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c1C(=O)[N-]O	ZINC000026503376	561795983	/nfs/dbraw/zinc/79/59/83/561795983.db2.gz	VSSBMKQTJZCDML-UHFFFAOYSA-N	-1	3	504.483	3.074	1	30		KGEFHM
CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[O-]	ZINC000026505752	561796524	/nfs/dbraw/zinc/79/65/24/561796524.db2.gz	MEGWGEANLRBKEI-CDHQVMDDSA-N	-1	3	506.397	3.323	1	30		KGEFHM
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[O-])OCc1ccccc1	ZINC000026505817	561796544	/nfs/dbraw/zinc/79/65/44/561796544.db2.gz	ZKZVODAZEGPOAU-RPBOFIJWSA-N	-1	3	500.555	3.238	1	30		KGEFHM
CC[C@@H](C)[C@@H](NCN(Cc1ccc(F)cc1)C(=O)c1cccc(C)c1)C(=O)N[C@H](Cc1cscn1)C(=O)N[O-]	ZINC000026507774	561796825	/nfs/dbraw/zinc/79/68/25/561796825.db2.gz	FABKIVSIJOYYIW-UKDVSSAZSA-N	-1	3	555.676	3.428	1	30		KGEFHM
CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(Br)s1)C(=O)N[O-]	ZINC000026507831	561796845	/nfs/dbraw/zinc/79/68/45/561796845.db2.gz	FMWWUTHSNUPDBA-MZMPZRCHSA-N	-1	3	512.426	3.384	1	30		KGEFHM
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[O-])OCc1ccccc1	ZINC000026567997	561797549	/nfs/dbraw/zinc/79/75/49/561797549.db2.gz	ZKZVODAZEGPOAU-DQEYMECFSA-N	-1	3	500.555	3.238	1	30		KGEFHM
CC[C@@H](C)[C@@H](NCN(Cc1ccc(F)cc1)C(=O)c1ccc(F)cc1)C(=O)N[C@H](Cc1cscn1)C(=O)N[O-]	ZINC000026568342	561797558	/nfs/dbraw/zinc/79/75/58/561797558.db2.gz	XEKJCZCYCMDRSC-UOKFIYJESA-N	-1	3	559.639	3.258	1	30		KGEFHM
CC[C@@H](C)[C@@H](NC(=O)OCc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](Cc1cscn1)C(=O)N[O-]	ZINC000026569539	561797753	/nfs/dbraw/zinc/79/77/53/561797753.db2.gz	HHLIDCIOPGGGGD-SSKCKEOISA-N	-1	3	503.408	3.324	1	30		KGEFHM
Cc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCCNC(=O)OCCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N3)c2c1	ZINC000026580370	561805884	/nfs/dbraw/zinc/80/58/84/561805884.db2.gz	GIIILVRGSMAAFN-PWWKTKHKSA-N	-1	3	557.692	3.094	1	30		KGEFHM
Cc1ccc(CCC[C@H](CC(=O)N[O-])C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000026661233	561810348	/nfs/dbraw/zinc/81/03/48/561810348.db2.gz	WYEWOIOFHXNSNW-IAPPQJPRSA-N	-1	3	600.782	3.291	1	30		KGEFHM
COC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)N[O-]	ZINC000026664550	561810940	/nfs/dbraw/zinc/81/09/40/561810940.db2.gz	IURHJAMYHLDNBR-IRLDBZIGSA-N	-1	3	524.058	3.309	1	30		KGEFHM
CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@@H](N)CS)CC(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000026666609	561811381	/nfs/dbraw/zinc/81/13/81/561811381.db2.gz	YZGHFBXKMXHBQI-XWGVYQGASA-N	-1	3	531.744	3.301	1	30		KGEFHM
CSCC[C@H](NC(=O)[C@H](CCCNC(=O)[C@@H](N)CS)CC(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000026666614	561811440	/nfs/dbraw/zinc/81/14/40/561811440.db2.gz	YZGHFBXKMXHBQI-NHTMILBNSA-N	-1	3	531.744	3.301	1	30		KGEFHM
O=C(NCC#Cc1c[nH]cn1)[C@@H]1CCCN1C(=O)[C@H]([N-]S(=O)(=O)Cc1ccccc1)C(c1ccccc1)c1ccccc1	ZINC000026674122	561813319	/nfs/dbraw/zinc/81/33/19/561813319.db2.gz	YZCNNGYXTMBYEO-IGYGKHONSA-N	-1	3	595.725	3.189	1	30		KGEFHM
COCC(=O)N1C[C@@H](C(=O)N[O-])N(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)Cc2ccccc21	ZINC000026727201	561816161	/nfs/dbraw/zinc/81/61/61/561816161.db2.gz	UTFGYUICVDXOSK-QHCPKHFHSA-N	-1	3	546.001	3.190	1	30		KGEFHM
COCC(=O)N1C[C@H](C(=O)N[O-])N(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)Cc2ccccc21	ZINC000026727206	561816186	/nfs/dbraw/zinc/81/61/86/561816186.db2.gz	UTFGYUICVDXOSK-HSZRJFAPSA-N	-1	3	546.001	3.190	1	30		KGEFHM
CCOc1ccc(CCC[C@H]2C(=O)N[C@H](C(=O)NC)Cc3ccc(cc3)OCCCC[C@@H]2C(=O)N[O-])cc1	ZINC000026730832	581095996	/nfs/dbraw/zinc/09/59/96/581095996.db2.gz	HFKQCTSECBMUHK-ZNZIZOMTSA-N	-1	3	525.646	3.182	1	30		KGEFHM
CN(C[C@H](C(=O)N[O-])[C@@H](CC1CCCC1)C(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000026736058	561817476	/nfs/dbraw/zinc/81/74/76/561817476.db2.gz	OKYUILRERWOFCH-RTWAWAEBSA-N	-1	3	500.061	3.291	1	30		KGEFHM
CNC(=O)[C@@H]1Cc2ccc(cc2)OCCCC[C@H](C(=O)N[O-])[C@@H](CCCc2ccc(Cl)cc2)C(=O)N1	ZINC000026740343	561818003	/nfs/dbraw/zinc/81/80/03/561818003.db2.gz	NMAKKNGSMZZSBP-SGNDLWITSA-N	-1	3	516.038	3.437	1	30		KGEFHM
C#C[C@]1(O)Cc2c([O-])c3c(c(O)c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C1)C(=O)c1ccccc1C3=O	ZINC000026749817	561819443	/nfs/dbraw/zinc/81/94/43/561819443.db2.gz	HAXBJNUKVRMLKW-CQGGRAHPSA-N	-1	3	500.503	3.341	1	30		KGEFHM
O=C(CCCSC[C@H](NC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)NCc1ccccc1)N[O-]	ZINC000026750740	561819737	/nfs/dbraw/zinc/81/97/37/561819737.db2.gz	XEAAOQOTBQYQCM-DEOSSOPVSA-N	-1	3	519.623	3.351	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)[C@@H](CCSCc2ccccc2)C(=O)N[O-])cc1	ZINC000026823950	561821586	/nfs/dbraw/zinc/82/15/86/561821586.db2.gz	PECNGMJVFOGIBW-DEOSSOPVSA-N	-1	3	549.715	3.332	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)[C@H](CCSCc2ccccc2)C(=O)N[O-])cc1	ZINC000026823956	561821604	/nfs/dbraw/zinc/82/16/04/561821604.db2.gz	PECNGMJVFOGIBW-XMMPIXPASA-N	-1	3	549.715	3.332	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)[C@@H](CCSCc2ccccc2)C(=O)N[O-])cc1	ZINC000026824610	561821672	/nfs/dbraw/zinc/82/16/72/561821672.db2.gz	MAOGHLYYLNCNCI-VWLOTQADSA-N	-1	3	557.694	3.200	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)[C@H](CCSCc2ccccc2)C(=O)N[O-])cc1	ZINC000026824615	561821677	/nfs/dbraw/zinc/82/16/77/561821677.db2.gz	MAOGHLYYLNCNCI-RUZDIDTESA-N	-1	3	557.694	3.200	1	30		KGEFHM
COc1ccc(CNC(=O)CN([C@@H](CCSCc2ccccc2)C(=O)N[O-])S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000026828343	561822339	/nfs/dbraw/zinc/82/23/39/561822339.db2.gz	BSGLIFPGYIIUAJ-SANMLTNESA-N	-1	3	587.720	3.208	1	30		KGEFHM
COc1ccc(CNC(=O)CN([C@H](CCSCc2ccccc2)C(=O)N[O-])S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000026828348	561822418	/nfs/dbraw/zinc/82/24/18/561822418.db2.gz	BSGLIFPGYIIUAJ-AREMUKBSSA-N	-1	3	587.720	3.208	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(CC(=O)NCc2c(OC)cc(OC)cc2OC)[C@@H](CCSCc2ccccc2)C(=O)N[O-])cc1	ZINC000026831069	561822981	/nfs/dbraw/zinc/82/29/81/561822981.db2.gz	UGEYJONPMBOKNN-SANMLTNESA-N	-1	3	647.772	3.226	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(CC(=O)NCc2c(OC)cc(OC)cc2OC)[C@H](CCSCc2ccccc2)C(=O)N[O-])cc1	ZINC000026831073	561822976	/nfs/dbraw/zinc/82/29/76/561822976.db2.gz	UGEYJONPMBOKNN-AREMUKBSSA-N	-1	3	647.772	3.226	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(CC(=O)NCc2cc(OC)cc(OC)c2)[C@@H](CCSCc2ccccc2)C(=O)N[O-])cc1	ZINC000026834387	561823652	/nfs/dbraw/zinc/82/36/52/561823652.db2.gz	PONKMSIAUNHYAM-MHZLTWQESA-N	-1	3	617.746	3.217	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(CC(=O)NCc2cc(OC)cc(OC)c2)[C@H](CCSCc2ccccc2)C(=O)N[O-])cc1	ZINC000026834390	561823760	/nfs/dbraw/zinc/82/37/60/561823760.db2.gz	PONKMSIAUNHYAM-HHHXNRCGSA-N	-1	3	617.746	3.217	1	30		KGEFHM
Cc1ccccc1COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3)[C@@H](C)[C@@H]2C(=O)N[O-])cc1	ZINC000026967544	561830110	/nfs/dbraw/zinc/83/01/10/561830110.db2.gz	OVROAIFGKUSYAZ-NBGIEHNGSA-N	-1	3	538.626	3.375	1	30		KGEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)c2ccc(S(C)(=O)=O)cc2)Cc2ccc(cc2)OCCCC[C@@H]1C(=O)N[O-]	ZINC000026976643	561830960	/nfs/dbraw/zinc/83/09/60/561830960.db2.gz	IKIPPVJMYSOQOD-GVAUOCQISA-N	-1	3	544.670	3.347	1	30		KGEFHM
O=C(CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)N[O-])[C@@H](Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C(=O)N1)N1CCOCC1	ZINC000027073663	561833837	/nfs/dbraw/zinc/83/38/37/561833837.db2.gz	USDVPRSOSNTZAZ-IARZGTGTSA-N	-1	3	706.624	3.091	1	30		KGEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSC/C(=N/OC)c1ccccc1)C(=O)N[O-]	ZINC000027089210	561836946	/nfs/dbraw/zinc/83/69/46/561836946.db2.gz	JTEYGOJHIIFEAF-ZTCHZYFESA-N	-1	3	542.702	3.028	1	30		KGEFHM
COC(=O)c1cc2c([n-]1)C(=O)C=C1N(C(=O)c3cc4c([nH]3)C(=O)C=C3N(C(=O)OC(C)(C)C)C[C@@H]5C[C@]435)C[C@@H]3C[C@]213	ZINC000027551280	561868086	/nfs/dbraw/zinc/86/80/86/561868086.db2.gz	NPIVYUSLFWDIBQ-RVOAOWOESA-N	-1	3	556.575	3.212	1	30		KGEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@@H](C(=O)N[O-])N(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc21)C(C)(C)C	ZINC000027551606	561868040	/nfs/dbraw/zinc/86/80/40/561868040.db2.gz	BYCSJLQSFICNET-DURWQBQJSA-N	-1	3	611.765	3.239	1	30		KGEFHM
COC(=O)c1cc2c([n-]1)C(=O)C=C1N(C(=O)c3cc4c([nH]3)C(=O)C=C3N(C(=O)OC(C)(C)C)C[C@H]5C[C@@]435)C[C@H]3C[C@@]213	ZINC000027552423	561868364	/nfs/dbraw/zinc/86/83/64/561868364.db2.gz	NPIVYUSLFWDIBQ-QXOGRCOUSA-N	-1	3	556.575	3.212	1	30		KGEFHM
COC(=O)c1cc2c([n-]1)C(=O)C=C1N(C(=O)c3cc4c([nH]3)C(=O)C=C3N(C(=O)OC(C)(C)C)C[C@@H]5C[C@]435)C[C@H]3C[C@@]213	ZINC000027552612	561868455	/nfs/dbraw/zinc/86/84/55/561868455.db2.gz	NPIVYUSLFWDIBQ-XHHCRFJXSA-N	-1	3	556.575	3.212	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)N[O-])cc1NC(=O)OC(C)(C)C	ZINC000027555110	561869296	/nfs/dbraw/zinc/86/92/96/561869296.db2.gz	OJRVMIQQALPZAF-CQSZACIVSA-N	-1	3	524.552	3.035	1	30		KGEFHM
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCOCCOCc1ccc([O-])c(C(N)=O)c1	ZINC000027563068	561871159	/nfs/dbraw/zinc/87/11/59/561871159.db2.gz	XOLGYJLNPPEAOO-UHFFFAOYSA-N	-1	3	534.491	3.162	1	30		KGEFHM
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCOCCOCCOCc1ccc([O-])c(C(N)=O)c1	ZINC000027563891	561871624	/nfs/dbraw/zinc/87/16/24/561871624.db2.gz	YTAVVPKFNJLONT-UHFFFAOYSA-N	-1	3	578.544	3.179	1	30		KGEFHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](NC(=O)OCC2=CCC(C)(C)CC2=O)[C@@H](O)[C@@H](C)O1	ZINC000027657250	561878050	/nfs/dbraw/zinc/87/80/50/561878050.db2.gz	JGPCKOTUFQNWNF-XOICYYTBSA-N	-1	3	707.729	3.112	1	30		KGEFHM
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](NC(=O)OCC2=CCC(C)(C)CC2=O)[C@@H](O)[C@@H](C)O1	ZINC000027657250	561878048	/nfs/dbraw/zinc/87/80/48/561878048.db2.gz	JGPCKOTUFQNWNF-XOICYYTBSA-N	-1	3	707.729	3.112	1	30		KGEFHM
COc1ccc(CSC[C@H](C(=O)N[O-])N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000028236722	561909821	/nfs/dbraw/zinc/90/98/21/561909821.db2.gz	MQUGICLVQVICKY-HSZRJFAPSA-N	-1	3	560.650	3.431	1	30		KGEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCCNC(=O)OCc2ccccc2)C(=O)N[O-])cc1	ZINC000028238247	561910148	/nfs/dbraw/zinc/91/01/48/561910148.db2.gz	MURCYVRSVCQMAG-XMMPIXPASA-N	-1	3	585.635	3.195	1	30		KGEFHM
CC(=O)N1CCC[C@@]1(CC(=O)N[O-])CS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1	ZINC000028371625	561918472	/nfs/dbraw/zinc/91/84/72/561918472.db2.gz	SGKYEMLYQFTLEW-AREMUKBSSA-N	-1	3	511.600	3.173	1	30		KGEFHM
CC(=O)N1CCC[C@]1(CC(=O)N[O-])CS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1	ZINC000028371632	561918498	/nfs/dbraw/zinc/91/84/98/561918498.db2.gz	SGKYEMLYQFTLEW-SANMLTNESA-N	-1	3	511.600	3.173	1	30		KGEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3cc(OCCc4ccccc4)ccc3N(C(C)=O)C[C@@H]2C(=O)N[O-])cc1	ZINC000028380501	561919946	/nfs/dbraw/zinc/91/99/46/561919946.db2.gz	FSJPBIIVCZKHRS-GDLZYMKVSA-N	-1	3	577.659	3.142	1	30		KGEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3cc(OCCc4ccccc4)ccc3N(C(C)=O)C[C@H]2C(=O)N[O-])cc1	ZINC000028380509	561920017	/nfs/dbraw/zinc/92/00/17/561920017.db2.gz	FSJPBIIVCZKHRS-LJAQVGFWSA-N	-1	3	577.659	3.142	1	30		KGEFHM
CC(C)(C)OC(=O)NCCCCC#CCOc1ccc(S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000028571939	561939603	/nfs/dbraw/zinc/93/96/03/561939603.db2.gz	NGEXELWTFRTJEQ-NRFANRHFSA-N	-1	3	555.719	3.154	1	30		KGEFHM
CC(C)(C)OC(=O)N1CCC([C@H](C(=O)N[O-])[C@@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1	ZINC000028757216	561956709	/nfs/dbraw/zinc/95/67/09/561956709.db2.gz	SNARYYAZTCOSMO-XPGKHFPBSA-N	-1	3	553.656	3.094	1	30		KGEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)cc1	ZINC000028816900	561964431	/nfs/dbraw/zinc/96/44/31/561964431.db2.gz	PRHFUFABVIQNBK-UHFFFAOYSA-N	-1	3	581.521	3.207	1	30		KGEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(Cc3c(Cl)cncc3Cl)CC2)cc1	ZINC000028816913	561964457	/nfs/dbraw/zinc/96/44/57/561964457.db2.gz	FGPWEPZCTGVLNA-UHFFFAOYSA-N	-1	3	526.442	3.352	1	30		KGEFHM
C[C@]1(CC2CC2)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000028882724	561977246	/nfs/dbraw/zinc/97/72/46/561977246.db2.gz	QOTHIWUGEIDJTH-QHCPKHFHSA-N	-1	3	501.586	3.181	1	30		KGEFHM
C[C@]1(CC2CC2)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000028882724	561977244	/nfs/dbraw/zinc/97/72/44/561977244.db2.gz	QOTHIWUGEIDJTH-QHCPKHFHSA-N	-1	3	501.586	3.181	1	30		KGEFHM
C[C@@]1(CC2CC2)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000028882730	561977278	/nfs/dbraw/zinc/97/72/78/561977278.db2.gz	QOTHIWUGEIDJTH-HSZRJFAPSA-N	-1	3	501.586	3.181	1	30		KGEFHM
C[C@@]1(CC2CC2)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000028882730	561977276	/nfs/dbraw/zinc/97/72/76/561977276.db2.gz	QOTHIWUGEIDJTH-HSZRJFAPSA-N	-1	3	501.586	3.181	1	30		KGEFHM
CSc1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)N[O-])cc1	ZINC000029038007	561988867	/nfs/dbraw/zinc/98/88/67/561988867.db2.gz	SDNMPMDMJTYOAW-AZUAARDMSA-N	-1	3	525.631	3.277	1	30		KGEFHM
C[C@@H]1CN([C@@H](CN(c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)S(C)(=O)=O)C(=O)N[O-])C[C@H](C)O1	ZINC000029039858	561990274	/nfs/dbraw/zinc/99/02/74/561990274.db2.gz	OOPDBSPAOGDGKV-MRUHUIDDSA-N	-1	3	531.553	3.247	1	30		KGEFHM
COc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc(-c4ccccc4)n3CC(=O)[N-]C(N)=[NH2+])cc2)c1	ZINC000029040200	561990508	/nfs/dbraw/zinc/99/05/08/561990508.db2.gz	DDUHDVUYBDCHNW-UHFFFAOYSA-N	-1	3	503.584	3.432	1	30		KGEFHM
Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)C)C[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000029129182	562001692	/nfs/dbraw/zinc/00/16/92/562001692.db2.gz	BEMAWHUATSKVDF-LADGPHEKSA-N	-1	3	506.559	3.203	1	30		KGEFHM
Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(=O)C(C)(C)C)C[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000029129227	562001864	/nfs/dbraw/zinc/00/18/64/562001864.db2.gz	OYFJDPJIGCMKKI-LADGPHEKSA-N	-1	3	504.587	3.231	1	30		KGEFHM
Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(Cc4ccco4)C[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000029129972	562002271	/nfs/dbraw/zinc/00/22/71/562002271.db2.gz	LBCLZTXMMZKWOQ-AZGAKELHSA-N	-1	3	500.555	3.451	1	30		KGEFHM
C=CC[C@](C)(C(=O)N[O-])[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000029229836	562009162	/nfs/dbraw/zinc/00/91/62/562009162.db2.gz	NWIDFBAHFQXVFF-QEMZJVQQSA-N	-1	3	578.776	3.198	1	30		KGEFHM
COc1ccc(S(=O)(=O)[C@@H](CCCN2C(=O)c3ccccc3C2=O)CC(=O)N[O-])cc1OC1CCCC1	ZINC000029393974	562018155	/nfs/dbraw/zinc/01/81/55/562018155.db2.gz	FGYNRNOOSHCFPR-SFHVURJKSA-N	-1	3	530.599	3.131	1	30		KGEFHM
COc1ccc(S(=O)(=O)[C@H](CCCN2C(=O)c3ccccc3C2=O)CC(=O)N[O-])cc1OC1CCCC1	ZINC000029393977	562018147	/nfs/dbraw/zinc/01/81/47/562018147.db2.gz	FGYNRNOOSHCFPR-GOSISDBHSA-N	-1	3	530.599	3.131	1	30		KGEFHM
COc1ccc(S(=O)(=O)[C@@H](CCN(C)C(=O)c2ccccc2)CC(=O)N[O-])cc1OC1CCCC1	ZINC000029397752	562019122	/nfs/dbraw/zinc/01/91/22/562019122.db2.gz	NEQBRWOTAUTWCX-NRFANRHFSA-N	-1	3	504.605	3.217	1	30		KGEFHM
COc1ccc(S(=O)(=O)[C@H](CCN(C)C(=O)c2ccccc2)CC(=O)N[O-])cc1OC1CCCC1	ZINC000029397754	562019082	/nfs/dbraw/zinc/01/90/82/562019082.db2.gz	NEQBRWOTAUTWCX-OAQYLSRUSA-N	-1	3	504.605	3.217	1	30		KGEFHM
COc1ccc(S(=O)(=O)[C@@H](CCC(=O)N(C)c2ccccc2)CC(=O)N[O-])cc1OC1CCCC1	ZINC000029401011	562019726	/nfs/dbraw/zinc/01/97/26/562019726.db2.gz	HBDOUVSVVYQJQQ-NRFANRHFSA-N	-1	3	504.605	3.498	1	30		KGEFHM
COc1ccc(S(=O)(=O)[C@H](CCC(=O)N(C)c2ccccc2)CC(=O)N[O-])cc1OC1CCCC1	ZINC000029401015	562019742	/nfs/dbraw/zinc/01/97/42/562019742.db2.gz	HBDOUVSVVYQJQQ-OAQYLSRUSA-N	-1	3	504.605	3.498	1	30		KGEFHM
COc1cc(COc2ccc3c(c2)NCCN([C@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[O-])S3(=O)=O)cc(OC)c1	ZINC000029483123	562027748	/nfs/dbraw/zinc/02/77/48/562027748.db2.gz	QJCXYCVUFZIPQG-XMMPIXPASA-N	-1	3	608.714	3.268	1	30		KGEFHM
COc1ccc(S(=O)(=O)N2Cc3cc(NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc4ccccc4)ccc3C[C@H]2C(=O)N[O-])cc1	ZINC000029557354	562032327	/nfs/dbraw/zinc/03/23/27/562032327.db2.gz	FEGDHECAHSRZEF-NSOVKSMOSA-N	-1	3	682.752	3.282	1	30		KGEFHM
COc1ccc(CCN(CCC(=O)N[O-])S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1	ZINC000033991339	562038016	/nfs/dbraw/zinc/03/80/16/562038016.db2.gz	PVICBXRLHVHRAG-UHFFFAOYSA-N	-1	3	512.588	3.468	1	30		KGEFHM
CN(C)c1ccc(C(=O)CCCCOc2ccc(S(=O)(=O)C3(C(=O)N[O-])CCOCC3)cc2)cc1	ZINC000034251615	562038505	/nfs/dbraw/zinc/03/85/05/562038505.db2.gz	WBIKMXRYXWFRCE-UHFFFAOYSA-N	-1	3	504.605	3.013	1	30		KGEFHM
O=C(N[O-])[C@H](Cc1cccc(Oc2ccccc2)c1)C(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1	ZINC000035276576	562045084	/nfs/dbraw/zinc/04/50/84/562045084.db2.gz	HTQZYFVDQSBXQX-VWLOTQADSA-N	-1	3	514.582	3.098	1	30		KGEFHM
O=C(N[O-])[C@@H](Cc1cccc(Oc2ccccc2)c1)C(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1	ZINC000035276581	562045145	/nfs/dbraw/zinc/04/51/45/562045145.db2.gz	HTQZYFVDQSBXQX-RUZDIDTESA-N	-1	3	514.582	3.098	1	30		KGEFHM
CC1=C(CCC(=O)NCCC[NH2+]CCCNC(=O)CCC2=C(C)C(=O)c3cccc([O-])c3C2=O)C(=O)c2c([O-])cccc2C1=O	ZINC000036113897	562047357	/nfs/dbraw/zinc/04/73/57/562047357.db2.gz	RINXMBCUWUKMEA-UHFFFAOYSA-N	-1	3	615.683	3.352	1	30		KGEFHM
CCS(=O)(=O)CCN1CCC(CC(=O)N[O-])(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1	ZINC000036351985	562059555	/nfs/dbraw/zinc/05/95/55/562059555.db2.gz	CTANAKVMPKAIQD-UHFFFAOYSA-N	-1	3	568.696	3.017	1	30		KGEFHM
Cc1cc(COc2ccc(C(=O)NC3(CC(=O)N[O-])CCN(C(=O)N(C)C)CC3)cc2)c2ccccc2n1	ZINC000036351994	562059461	/nfs/dbraw/zinc/05/94/61/562059461.db2.gz	ZTSCXJSYCOZWKZ-UHFFFAOYSA-N	-1	3	519.602	3.264	1	30		KGEFHM
CC1=C(CCC(=O)NCCCN2CCN(CCCNC(=O)CCC3=C(C)C(=O)c4cccc(O)c4C3=O)CC2)C(=O)c2c([O-])cccc2C1=O	ZINC000037858540	562062016	/nfs/dbraw/zinc/06/20/16/562062016.db2.gz	MABOHBRDFFXADJ-UHFFFAOYSA-N	-1	3	684.790	3.380	1	30		KGEFHM
Cc1cc(COc2ccc(S(=O)(=O)C3(C(=O)N[O-])CCN(C(=O)C(C)C)CC3)cc2)c2ccccc2n1	ZINC000040974938	562087076	/nfs/dbraw/zinc/08/70/76/562087076.db2.gz	LJJFKNOMQHHBEW-UHFFFAOYSA-N	-1	3	525.627	3.419	1	30		KGEFHM
Cc1cc(COc2ccc(S(=O)(=O)C3(C(=O)N[O-])CCN(C(=O)c4ccncc4)CC3)cc2)c2ccccc2n1	ZINC000042806447	562089759	/nfs/dbraw/zinc/08/97/59/562089759.db2.gz	RPWIXTPWMSUQKW-UHFFFAOYSA-N	-1	3	560.632	3.471	1	30		KGEFHM
COc1ccc(-c2ccc(S(=O)(=O)N(OC(C)C)[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)N[O-])cc2)cc1	ZINC000043203256	562646935	/nfs/dbraw/zinc/64/69/35/562646935.db2.gz	WQCXDERWRJMJQA-RUZDIDTESA-N	-1	3	567.620	3.253	1	30	in-vitro	KGEFHM
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)N=C(N)N)c3Cl)c2n1	ZINC000044031793	562651588	/nfs/dbraw/zinc/65/15/88/562651588.db2.gz	SQPXCEOIBZIUPU-UHFFFAOYSA-N	-1	3	524.430	3.286	1	30		KGEFHM
Cn1cc(/C=C2\Oc3cccc([O-])c3C2=O)c2c1nccc2-c1ccc(C(=O)N2CCN(CCO)CC2)cc1	ZINC000049125261	562664742	/nfs/dbraw/zinc/66/47/42/562664742.db2.gz	ODKUJMMJYPRCMG-UQQQWYQISA-N	-1	3	524.577	3.312	1	30		KGEFHM
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](N([O-])C(C)=O)NC1	ZINC000049670067	562668207	/nfs/dbraw/zinc/66/82/07/562668207.db2.gz	RQLOSVDEZVHARO-UMNYJUJISA-N	-1	3	546.659	3.103	1	30		KGEFHM
Cc1cccc(N2CCN(C(=O)C3CCN(c4ccc(S(=O)(=O)C5(C(=O)N[O-])CCN(C6CC6)CC5)cc4)CC3)CC2)c1C	ZINC000049777015	562679557	/nfs/dbraw/zinc/67/95/57/562679557.db2.gz	HWZVYNMATDDRGV-UHFFFAOYSA-N	-1	3	623.820	3.145	1	30		KGEFHM
CN(C(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000049780496	562681821	/nfs/dbraw/zinc/68/18/21/562681821.db2.gz	PUYLOEIRYPDFJO-CHQNGUEUSA-N	-1	3	651.724	3.031	1	30	in-vitro	KGEFHM
O=C(N[O-])[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1	ZINC000049784763	562683754	/nfs/dbraw/zinc/68/37/54/562683754.db2.gz	HOKBADYASDUFAM-OAQYLSRUSA-N	-1	3	547.511	3.211	1	30		KGEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2)CCN(C2CC2)CC1	ZINC000049785192	562683930	/nfs/dbraw/zinc/68/39/30/562683930.db2.gz	VGQUGXBRZGFKOH-UHFFFAOYSA-N	-1	3	552.619	3.308	1	30		KGEFHM
CON(C(C)=O)[C@@]1(CCC(C)C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049881513	562690863	/nfs/dbraw/zinc/69/08/63/562690863.db2.gz	NKGJTFYWLWRVFR-SANMLTNESA-N	-1	3	590.680	3.164	1	30		KGEFHM
CON(C(C)=O)[C@]1(CCC(C)C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049881514	562690846	/nfs/dbraw/zinc/69/08/46/562690846.db2.gz	NKGJTFYWLWRVFR-AREMUKBSSA-N	-1	3	590.680	3.164	1	30		KGEFHM
CO[C@H]1CC=C2C(=O)c3c([O-])c(-c4c(C)cc5c(c4O)C(=O)C4=CC[C@H](OC)[C@@H](O)[C@]4(C)O5)c(C)cc3O[C@@]2(C)[C@@H]1O	ZINC000049889255	562691921	/nfs/dbraw/zinc/69/19/21/562691921.db2.gz	RLBXNYCARFXYIU-RIJKSYFQSA-N	-1	3	578.614	3.461	1	30		KGEFHM
CC=C(C)C(=O)[C@H](C)[C@H](O)[C@@H](C)C(=O)O[C@H]1C=COC=C2C[C@@]3(SC)C(=O)N4c5c(cccc5[O-])[C@@H](O)[C@@]4(SC)C(=O)N3[C@@H]21	ZINC000049899487	562693189	/nfs/dbraw/zinc/69/31/89/562693189.db2.gz	NUNCDQJROUUESZ-PKAJSKTRSA-N	-1	3	644.768	3.013	1	30		KGEFHM
CC=C(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)O[C@H]1C=COC=C2C[C@@]3(SC)C(=O)N4c5c(cccc5[O-])[C@@H](O)[C@@]4(SC)C(=O)N3[C@@H]21	ZINC000049899489	562693202	/nfs/dbraw/zinc/69/32/02/562693202.db2.gz	NUNCDQJROUUESZ-MYYAAZBDSA-N	-1	3	644.768	3.013	1	30		KGEFHM
COC(=O)N[C@@]1(CCC(C)C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049908068	562693452	/nfs/dbraw/zinc/69/34/52/562693452.db2.gz	ICRLSYRYOIERKC-VWLOTQADSA-N	-1	3	576.653	3.110	1	30		KGEFHM
O=C(N[O-])[C@H](Cc1cccc(Oc2ccccc2)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000049942462	562695514	/nfs/dbraw/zinc/69/55/14/562695514.db2.gz	YRLGMJXFNPBNGD-DEOSSOPVSA-N	-1	3	503.555	3.216	1	30		KGEFHM
O=C(N[O-])[C@@H](Cc1cccc(Oc2ccccc2)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000049942463	562695491	/nfs/dbraw/zinc/69/54/91/562695491.db2.gz	YRLGMJXFNPBNGD-XMMPIXPASA-N	-1	3	503.555	3.216	1	30		KGEFHM
CCOC(=O)[C@H](N[P@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1cccc(C)c1C)C(C)C	ZINC000058568606	562699484	/nfs/dbraw/zinc/69/94/84/562699484.db2.gz	XXHZQFKKHSAUNM-BGPZZRPGSA-N	-1	3	502.501	3.010	1	30		KGEFHM
CC(C)[C@@H](N[P@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccccc1)C(=O)OC(C)(C)C	ZINC000058609179	562700985	/nfs/dbraw/zinc/70/09/85/562700985.db2.gz	PZHYHSLMXBHIHG-UYQDBEJSSA-N	-1	3	502.501	3.172	1	30		KGEFHM
CCOC(=O)[C@H](N[P@@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1cccc(C)c1C)C(C)C	ZINC000064353894	562704778	/nfs/dbraw/zinc/70/47/78/562704778.db2.gz	XXHZQFKKHSAUNM-ZHFKWJMYSA-N	-1	3	502.501	3.010	1	30		KGEFHM
CC(C)[C@@H](N[P@@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccccc1)C(=O)OC(C)(C)C	ZINC000064390984	562704983	/nfs/dbraw/zinc/70/49/83/562704983.db2.gz	PZHYHSLMXBHIHG-HWESERNWSA-N	-1	3	502.501	3.172	1	30		KGEFHM
CCOC(=O)c1c(N)n(/N=C(\C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)c(C#N)c1-c1ccc([O-])cc1	ZINC000066102438	562711474	/nfs/dbraw/zinc/71/14/74/562711474.db2.gz	SLSWFDLINDJRNX-FDAWAROLSA-N	-1	3	563.636	3.298	1	30		KGEFHM
CCOC(=O)c1c(N)n(/N=C(\C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)c(C#N)c1-c1ccc([O-])c(OC)c1	ZINC000066104572	562711737	/nfs/dbraw/zinc/71/17/37/562711737.db2.gz	HJQVZASMLBXGSL-KCSSXMTESA-N	-1	3	593.662	3.307	1	30		KGEFHM
Cc1cc([O-])c2c(c1)[C@@H]1OC(=O)[C@H](CC(C)C)N1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)c2C1=O	ZINC000066258795	562715120	/nfs/dbraw/zinc/71/51/20/562715120.db2.gz	WJUCKDQZAWZICN-OTHGIPIRSA-N	-1	3	549.576	3.012	1	30	in-vitro	KGEFHM
Cc1cc([O-])c2c(c1)[C@@H]1OC(=O)[C@H](Cc3ccccc3)N1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)c2C1=O	ZINC000066258989	562715157	/nfs/dbraw/zinc/71/51/57/562715157.db2.gz	OCASEYRRLPLBRV-WMTFKKCMSA-N	-1	3	583.593	3.209	1	30		KGEFHM
COCc1cc(COc2ccc([C@]3(N)CCN([C@H](CC(C)C)C(=O)N[O-])C3=O)cc2)c2ccccc2n1	ZINC000068045187	562715730	/nfs/dbraw/zinc/71/57/30/562715730.db2.gz	BJIOETDXHXZDRQ-LEAFIULHSA-N	-1	3	506.603	3.267	1	30		KGEFHM
COCCc1cc(COc2ccc([C@]3(N)CCN([C@H](CC(C)C)C(=O)N[O-])C3=O)cc2)c2ccccc2n1	ZINC000068045191	562715704	/nfs/dbraw/zinc/71/57/04/562715704.db2.gz	OKHKINWJYOOKOF-GGXMVOPNSA-N	-1	3	520.630	3.309	1	30		KGEFHM
O=C(NC[C@@H](C(=O)N[O-])N1CCN(Cc2ccccc2)CC1)c1ccc(OCc2c3ccccn3nc2C(F)(F)F)cc1	ZINC000068267033	562716306	/nfs/dbraw/zinc/71/63/06/562716306.db2.gz	PWHWIWBGOFSUOR-SANMLTNESA-N	-1	3	596.610	3.354	1	30		KGEFHM
O=C(CCCOc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCOCC2)cc1)Nc1ccc(OC(F)(F)F)cc1	ZINC000071331734	562719292	/nfs/dbraw/zinc/71/92/92/562719292.db2.gz	PCOMQZCYLOTKTN-UHFFFAOYSA-N	-1	3	546.520	3.211	1	30		KGEFHM
CN(C(=O)CCCOc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1	ZINC000071335186	562719686	/nfs/dbraw/zinc/71/96/86/562719686.db2.gz	CLXRDURJLYSMHZ-UHFFFAOYSA-N	-1	3	560.547	3.236	1	30		KGEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(OC(F)(F)F)cc4)no3)cc2)CCOCC1	ZINC000071340444	562719763	/nfs/dbraw/zinc/71/97/63/562719763.db2.gz	VCIBNYPUVKINDS-UHFFFAOYSA-N	-1	3	571.530	3.475	1	30		KGEFHM
CCCCCCCC(=O)OC[C@H]1O[C@@H](Oc2cc([O-])cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000072106603	562721079	/nfs/dbraw/zinc/72/10/79/562721079.db2.gz	JXYZHWPPADODGH-ARDHACQVSA-N	-1	3	516.587	3.358	1	30		KGEFHM
CC(=O)N1CCC(C(=O)N[O-])(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1	ZINC000072107300	562721231	/nfs/dbraw/zinc/72/12/31/562721231.db2.gz	QDGVTWBFTFHWOG-UHFFFAOYSA-N	-1	3	502.467	3.038	1	30		KGEFHM
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)N[O-])ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1	ZINC000072119845	562723934	/nfs/dbraw/zinc/72/39/34/562723934.db2.gz	UZZNWMWOBYWIST-SQOVJYTMSA-N	-1	3	584.670	3.411	1	30		KGEFHM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)N[O-])SCCS2	ZINC000072127600	562725720	/nfs/dbraw/zinc/72/57/20/562725720.db2.gz	ZGOTXZRPCUPVJX-SFTDATJTSA-N	-1	3	580.773	3.082	1	30		KGEFHM
COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)N[O-])cc3CN2C(=O)CCc2ccccc2)cc1	ZINC000072171898	562730541	/nfs/dbraw/zinc/73/05/41/562730541.db2.gz	FTGCGUPZUQKCOY-VWLOTQADSA-N	-1	3	503.555	3.104	1	30		KGEFHM
COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)N[O-])cc3CN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)cc1	ZINC000072172205	562730675	/nfs/dbraw/zinc/73/06/75/562730675.db2.gz	CHUOJXPDDUPLQR-NSOVKSMOSA-N	-1	3	634.686	3.313	1	30		KGEFHM
COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)N[O-])cc3CN2C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1	ZINC000072172355	562730728	/nfs/dbraw/zinc/73/07/28/562730728.db2.gz	ONIIWSWRKRBPSC-DQEYMECFSA-N	-1	3	584.670	3.411	1	30		KGEFHM
COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)N[O-])cc3CN2C(=O)CCCc2ccccc2)cc1	ZINC000072173014	562730726	/nfs/dbraw/zinc/73/07/26/562730726.db2.gz	SMBHYCSPOFLOGN-SANMLTNESA-N	-1	3	517.582	3.494	1	30		KGEFHM
COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)N[O-])cc3CN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1	ZINC000072173040	562730723	/nfs/dbraw/zinc/73/07/23/562730723.db2.gz	GKVHJBCAWQDJNZ-ZCYQVOJMSA-N	-1	3	570.643	3.021	1	30		KGEFHM
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)N[O-])ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1	ZINC000072173330	562730913	/nfs/dbraw/zinc/73/09/13/562730913.db2.gz	JNBIMACTONKFPM-BGCOULCTSA-N	-1	3	681.787	3.402	1	30		KGEFHM
COc1ccc(NC(=O)[C@H](Cc2ccc(OCC(=O)N[O-])cc2)NC(=O)CCCc2ccccc2)cc1	ZINC000072176978	562731692	/nfs/dbraw/zinc/73/16/92/562731692.db2.gz	CQWNBFKUXJUODG-VWLOTQADSA-N	-1	3	505.571	3.268	1	30		KGEFHM
O=C1[C@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC=CCN1[O-]	ZINC000073165515	562734453	/nfs/dbraw/zinc/73/44/53/562734453.db2.gz	YBTXAIOMVIXCOD-HSZRJFAPSA-N	-1	3	522.023	3.002	1	30		KGEFHM
CCCC[C@@H]1C(=O)O[C@H]2c3cc(C)cc([O-])c3C3=C(C(=O)c4c(O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)cccc4C3=O)N12	ZINC000073221359	562736317	/nfs/dbraw/zinc/73/63/17/562736317.db2.gz	YMBCQAMVBMTDAL-AGHKVKADSA-N	-1	3	549.576	3.156	1	30		KGEFHM
CCCC[C@@H]1C(=O)O[C@@H]2c3cc(C)cc([O-])c3C3=C(C(=O)c4c(O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)cccc4C3=O)N12	ZINC000073221361	562736306	/nfs/dbraw/zinc/73/63/06/562736306.db2.gz	YMBCQAMVBMTDAL-CHPWTXCCSA-N	-1	3	549.576	3.156	1	30		KGEFHM
CCCCCCCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c([O-])c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O	ZINC000082181745	562741882	/nfs/dbraw/zinc/74/18/82/562741882.db2.gz	IHUQKGLXZSPSLD-XHDDFIADSA-N	-1	3	697.778	3.300	1	30		KGEFHM
CCCCCCCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O	ZINC000082181745	562741881	/nfs/dbraw/zinc/74/18/81/562741881.db2.gz	IHUQKGLXZSPSLD-XHDDFIADSA-N	-1	3	697.778	3.300	1	30		KGEFHM
C[C@@H](C/C=C/c1ccccc1)CCNC[C@]1(O)[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)O[C@H](C(=O)[O-])[C@@H](O)[C@@]1(O)C=O	ZINC000085491309	565126883	/nfs/dbraw/zinc/12/68/83/565126883.db2.gz	YYROKAOCOSAFGN-BCZALYJCSA-N	-1	3	659.688	3.095	1	30	biogenic,in-vitro	KGEFHM
C[C@H](O)CNc1cc(CO)cc([C@H]2C#C[C@H]3CC(=O)Oc4cc([O-])c(cc43)C[C@H]([C@@](C)(O)C3CCC(=O)CC3)OC(=O)/C(=C\CO)C2)c1	ZINC000085571669	291792776	/nfs/dbraw/zinc/79/27/76/291792776.db2.gz	GHQLGMCEDNWJDN-BFBWNICWSA-N	-1	3	661.748	3.144	1	30	biogenic,in-vitro	KGEFHM
COc1cc2c3c([O-])c(c4c(c3c1)C=C[C@H]1CCC[C@@H]41)C(=O)CN1Cc3c(cccc3CC#CO[C@H]3[C@H](O)[C@@H](CO)O[C@H](O2)[C@@H]3O)C1=O	ZINC000085592468	565147470	/nfs/dbraw/zinc/14/74/70/565147470.db2.gz	YZTYXAOGQHHIQP-DPSASUQQSA-N	-1	3	653.684	3.023	1	30	biogenic,in-vitro	KGEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCC[C@H]31)O[C@@H]2Cc1cccc(C(N)N)c1	ZINC000085594068	560064811	/nfs/dbraw/zinc/06/48/11/560064811.db2.gz	YSNMWOIANJQSLQ-UXSAZRQMSA-N	-1	3	520.582	3.454	1	30	biogenic,in-vitro	KGEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCC[C@H]31)O[C@@H]2Cc1cccc(C(N)N)c1	ZINC000085594068	560064810	/nfs/dbraw/zinc/06/48/10/560064810.db2.gz	YSNMWOIANJQSLQ-UXSAZRQMSA-N	-1	3	520.582	3.454	1	30	biogenic,in-vitro	KGEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCC[C@H]31)O[C@@H]2Cc1cccc(C(N)N)c1	ZINC000085594070	560064875	/nfs/dbraw/zinc/06/48/75/560064875.db2.gz	YSNMWOIANJQSLQ-LYYULGOCSA-N	-1	3	520.582	3.454	1	30	biogenic,in-vitro	KGEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCC[C@H]31)O[C@@H]2Cc1cccc(C(N)N)c1	ZINC000085594070	560064874	/nfs/dbraw/zinc/06/48/74/560064874.db2.gz	YSNMWOIANJQSLQ-LYYULGOCSA-N	-1	3	520.582	3.454	1	30	biogenic,in-vitro	KGEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(CCCCO)O[C@@H]1CCc1ccnc(N)c1)C3	ZINC000085594118	560064546	/nfs/dbraw/zinc/06/45/46/560064546.db2.gz	YLZCXVVITCKDBI-SGQNLQFHSA-N	-1	3	538.597	3.343	1	30	biogenic,in-vitro	KGEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(CCCCO)O[C@@H]1CCc1ccnc(N)c1)C3	ZINC000085594118	560064545	/nfs/dbraw/zinc/06/45/45/560064545.db2.gz	YLZCXVVITCKDBI-SGQNLQFHSA-N	-1	3	538.597	3.343	1	30	biogenic,in-vitro	KGEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@]1(CCCCO)O[C@@H]1CCc1ccnc(N)c1)C3	ZINC000085594121	560064636	/nfs/dbraw/zinc/06/46/36/560064636.db2.gz	YLZCXVVITCKDBI-VDWGHMIBSA-N	-1	3	538.597	3.343	1	30	biogenic,in-vitro	KGEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(CCCCO)O[C@@H]1CCc1ccnc(N)c1)C3	ZINC000085594121	560064634	/nfs/dbraw/zinc/06/46/34/560064634.db2.gz	YLZCXVVITCKDBI-VDWGHMIBSA-N	-1	3	538.597	3.343	1	30	biogenic,in-vitro	KGEFHM
O=C(CNC(=O)[C@@H]1CCCCNC(=O)OCCC[C@H](C(=O)N[O-])[C@@H](Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)C(=O)N1)N1CCNCC1	ZINC000095546500	562758504	/nfs/dbraw/zinc/75/85/04/562758504.db2.gz	LCWWOMJWYGNKJF-IARZGTGTSA-N	-1	3	772.744	3.395	1	30		KGEFHM
COc1ccc(CCN(CCC(=O)N[O-])S(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1	ZINC000095557947	562762250	/nfs/dbraw/zinc/76/22/50/562762250.db2.gz	YGZGKSJRWVLLTF-UHFFFAOYSA-N	-1	3	540.642	3.188	1	30		KGEFHM
C=CCO[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)C([O-])=C(C)C(=O)O[C@H](CC)[C@@]3(C)OC(=O)O[C@H]3[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)OC)[C@H](O)[C@H]1N(C)C	ZINC000095560678	562763142	/nfs/dbraw/zinc/76/31/42/562763142.db2.gz	KWPIIBNVMYLKRY-FGWUVLHQSA-N	-1	3	669.809	3.086	1	30		KGEFHM
COc1ccc(CCN(CCC(=O)N[O-])S(=O)(=O)c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)cc1	ZINC000095563101	562763888	/nfs/dbraw/zinc/76/38/88/562763888.db2.gz	ACXQLYNAGJTDLR-UHFFFAOYSA-N	-1	3	542.614	3.477	1	30		KGEFHM
C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc([C@]([O-])(C(N)=O)C(F)(F)F)s1	ZINC000095580689	562771932	/nfs/dbraw/zinc/77/19/32/562771932.db2.gz	AQHKFYHHIIOAEO-QGHHPUGFSA-N	-1	3	549.490	3.041	1	30		KGEFHM
CC(=O)OC[C@H]1O[C@@H](Sc2nnc(-c3ccccc3)n2/N=C/c2cc(Br)ccc2[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000095603232	562780463	/nfs/dbraw/zinc/78/04/63/562780463.db2.gz	IHMAZIFVBDITNP-YUYPDDQDSA-N	-1	3	705.540	3.471	1	30		KGEFHM
CC(=O)OC[C@H]1O[C@@H](Sc2nnc(-c3ccccc3)n2/N=C/c2cc(Cl)ccc2[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000095603874	562780690	/nfs/dbraw/zinc/78/06/90/562780690.db2.gz	UHIMFHPOPUYEEM-YUYPDDQDSA-N	-1	3	661.089	3.362	1	30		KGEFHM
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1OCC#CCCc1ccc([O-])c(C(N)=O)c1	ZINC000095607658	562783026	/nfs/dbraw/zinc/78/30/26/562783026.db2.gz	ZBCPBUGUAUEIRH-UHFFFAOYSA-N	-1	3	514.460	3.497	1	30		KGEFHM
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCCCC(=O)N[O-])CC2	ZINC000096270608	562793219	/nfs/dbraw/zinc/79/32/19/562793219.db2.gz	CDDOIYGOWWHPGF-IBGZPJMESA-N	-1	3	514.575	3.308	1	30		KGEFHM
COc1ccc(-c2cc(Br)cc(COc3ccc(S(=O)(=O)NCC(=O)N[O-])cc3)c2)cc1	ZINC000096284913	562795373	/nfs/dbraw/zinc/79/53/73/562795373.db2.gz	HPKAGMQWGBOAOT-UHFFFAOYSA-N	-1	3	521.389	3.487	1	30		KGEFHM
N#Cc1c([N-]C(=O)c2cc(S(=O)(=O)N3CCNC(=O)C3)c(Cl)cc2Cl)sc2c1CCCC2	ZINC000096914378	562800736	/nfs/dbraw/zinc/80/07/36/562800736.db2.gz	MWYCBJFYJBNCBK-UHFFFAOYSA-N	-1	3	513.428	3.178	1	30		KGEFHM
CCc1c2c(nc3ccc(OCc4cn(CCCCCCC(=O)N[O-])nn4)cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC	ZINC000096927732	562802655	/nfs/dbraw/zinc/80/26/55/562802655.db2.gz	SZVAVGPGKWOHGK-YTTGMZPUSA-N	-1	3	616.675	3.268	1	30		KGEFHM
CN(C)c1ncc(N2CCC(C(=O)N[O-])(S(=O)(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)nc1C#N	ZINC000096933017	562803581	/nfs/dbraw/zinc/80/35/81/562803581.db2.gz	LVPLMOLWCRLVEQ-UHFFFAOYSA-N	-1	3	606.583	3.423	1	30		KGEFHM
C=CCN[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccc(Cl)cc1	ZINC000096933136	562803548	/nfs/dbraw/zinc/80/35/48/562803548.db2.gz	DVCOZLIIPTXKFC-AIIGAZMVSA-N	-1	3	500.811	3.275	1	30		KGEFHM
C=CCN[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccc(Cl)cc1	ZINC000096933137	562803576	/nfs/dbraw/zinc/80/35/76/562803576.db2.gz	DVCOZLIIPTXKFC-GNLTZAEOSA-N	-1	3	500.811	3.275	1	30		KGEFHM
COCOc1cccc2c(OCOC)c3c(c(OCOC)c12)/C(=N/[N-]S(C)(=O)=O)C1=C3CCCC1	ZINC000102674039	562813276	/nfs/dbraw/zinc/81/32/76/562813276.db2.gz	ZGAAGSLKYZTKCF-YYDJUVGSSA-N	-1	3	506.577	3.382	1	30		KGEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(C[C@H](O)CC[C@@H]31)O[C@@H]2CCc1ccnc(N)c1	ZINC000103527830	560051090	/nfs/dbraw/zinc/05/10/90/560051090.db2.gz	UJTLYGMWAIPMSU-WDPCLXQTSA-N	-1	3	536.581	3.266	1	30	biogenic,in-vitro	KGEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(C[C@H](O)CC[C@@H]31)O[C@@H]2CCc1ccnc(N)c1	ZINC000103527830	560051089	/nfs/dbraw/zinc/05/10/89/560051089.db2.gz	UJTLYGMWAIPMSU-WDPCLXQTSA-N	-1	3	536.581	3.266	1	30	biogenic,in-vitro	KGEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1Cc1cccc2c1C=CN[C@@H]2N)C3	ZINC000103527943	560051094	/nfs/dbraw/zinc/05/10/94/560051094.db2.gz	FMQXNOKIPYKZEZ-LJAPEPATSA-N	-1	3	518.566	3.364	1	30	biogenic,in-vitro	KGEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1Cc1cccc2c1C=CN[C@@H]2N)C3	ZINC000103527943	560051093	/nfs/dbraw/zinc/05/10/93/560051093.db2.gz	FMQXNOKIPYKZEZ-LJAPEPATSA-N	-1	3	518.566	3.364	1	30	biogenic,in-vitro	KGEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1Cc1cccc2c1C=CN[C@@H]2N)C3	ZINC000103527948	560051101	/nfs/dbraw/zinc/05/11/01/560051101.db2.gz	FMQXNOKIPYKZEZ-PLLXEUMLSA-N	-1	3	518.566	3.364	1	30	biogenic,in-vitro	KGEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1Cc1cccc2c1C=CN[C@@H]2N)C3	ZINC000103527948	560051100	/nfs/dbraw/zinc/05/11/00/560051100.db2.gz	FMQXNOKIPYKZEZ-PLLXEUMLSA-N	-1	3	518.566	3.364	1	30	biogenic,in-vitro	KGEFHM
Cc1cc(COc2ccc(S(=O)(=O)NC[C@@H](C(=O)N[O-])N3CCN(Cc4ccccc4)CC3)cc2)c2ccccc2n1	ZINC000114990586	562828734	/nfs/dbraw/zinc/82/87/34/562828734.db2.gz	XPGFEPBGGOVQAJ-PMERELPUSA-N	-1	3	589.718	3.092	1	30		KGEFHM
Cc1ccc(CN2CCN([C@@H](CNS(=O)(=O)c3ccc(OCc4cc(C)nc5ccccc45)cc3)C(=O)N[O-])CC2)cc1	ZINC000114991074	562828751	/nfs/dbraw/zinc/82/87/51/562828751.db2.gz	OEKBBQNVZPGHFU-HKBQPEDESA-N	-1	3	603.745	3.401	1	30		KGEFHM
Cc1cc(COc2ccc(S(=O)(=O)NC[C@@H](C(=O)N[O-])N3CCN(Cc4ccc(F)cc4)CC3)cc2)c2ccccc2n1	ZINC000114992420	562828759	/nfs/dbraw/zinc/82/87/59/562828759.db2.gz	UWCNFKCKFSEPKW-PMERELPUSA-N	-1	3	607.708	3.231	1	30		KGEFHM
O=C(N[O-])[C@H](CNS(=O)(=O)c1ccc(OCc2cc(Cl)cc(Cl)c2)cc1)N1CCCCC1	ZINC000114996084	562828718	/nfs/dbraw/zinc/82/87/18/562828718.db2.gz	GBMZBLYNSWBLCJ-FQEVSTJZSA-N	-1	3	502.420	3.211	1	30		KGEFHM
O=C(N[O-])[C@H](CNS(=O)(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)N1CCCCC1	ZINC000114998776	562828723	/nfs/dbraw/zinc/82/87/23/562828723.db2.gz	GXQWWUXEPIFHKA-FQEVSTJZSA-N	-1	3	502.420	3.211	1	30		KGEFHM
O=C(NC[C@H](C(=O)N[O-])N1CCN(Cc2ccccc2)CC1)c1ccc(OCc2c3ccccn3nc2C(F)(F)F)cc1	ZINC000116376432	562829382	/nfs/dbraw/zinc/82/93/82/562829382.db2.gz	PWHWIWBGOFSUOR-AREMUKBSSA-N	-1	3	596.610	3.354	1	30		KGEFHM
CC(C)ON([C@H](CCNC(=O)c1ccccc1)C(=O)N[O-])S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000117104125	562829653	/nfs/dbraw/zinc/82/96/53/562829653.db2.gz	NUFBSNVYZRUJSW-XMMPIXPASA-N	-1	3	511.600	3.378	1	30		KGEFHM
CC(C)ON([C@H](CCNC(=O)Cc1ccccc1)C(=O)N[O-])S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000117107780	562829648	/nfs/dbraw/zinc/82/96/48/562829648.db2.gz	NJZUERVIVLYZMO-RUZDIDTESA-N	-1	3	525.627	3.307	1	30		KGEFHM
COc1ccc(-c2ccc(S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc3ccccc3)C(=O)N[O-])cc2)cc1	ZINC000117108044	562829664	/nfs/dbraw/zinc/82/96/64/562829664.db2.gz	WVPKYEATTXWJLC-AREMUKBSSA-N	-1	3	555.653	3.316	1	30		KGEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5cccnc5)ccc4O)cc3)NC(=O)[N-]C1=O)C2	ZINC000143300152	562834905	/nfs/dbraw/zinc/83/49/05/562834905.db2.gz	DPNXFCNWZPIWBE-WJOKGBTCSA-N	-1	3	545.555	3.111	1	30		KGEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5cccnc5)ccc4OC(C)=O)cc3)NC(=O)[N-]C1=O)C2	ZINC000143326549	562834910	/nfs/dbraw/zinc/83/49/10/562834910.db2.gz	AOKGFVFNNCDRIH-MGBGTMOVSA-N	-1	3	587.592	3.330	1	30		KGEFHM
CCC(=O)Oc1ccc(-c2cnn(C)c2)nc1-c1ccc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)[N-]C2=O)cc1	ZINC000143404359	562835005	/nfs/dbraw/zinc/83/50/05/562835005.db2.gz	APHLZAGMJQWDLY-MGBGTMOVSA-N	-1	3	604.623	3.059	1	30		KGEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5cnn(C)c5)ccc4OC(=O)C(C)C)cc3)NC(=O)[N-]C1=O)C2	ZINC000143404582	562834996	/nfs/dbraw/zinc/83/49/96/562834996.db2.gz	YOUPVMZNCSLKQC-UUWRZZSWSA-N	-1	3	618.650	3.305	1	30		KGEFHM
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cccc(N5CCSCC5)n4)cc3)NC(=O)[N-]C1=O)C2	ZINC000143452324	562835014	/nfs/dbraw/zinc/83/50/14/562835014.db2.gz	MUUPTMXNJJHPHO-SSEXGKCCSA-N	-1	3	571.634	3.035	1	30		KGEFHM
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5cccnc5)ccc4O)cc3)NC(=O)[N-]C1=O)C2	ZINC000143478170	562835073	/nfs/dbraw/zinc/83/50/73/562835073.db2.gz	YRQXTHXMHPBGAB-WJOKGBTCSA-N	-1	3	563.545	3.250	1	30		KGEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4ncccc4OC(=O)C(C)(C)C)cc3)NC(=O)[N-]C1=O)C2	ZINC000143506682	562835077	/nfs/dbraw/zinc/83/50/77/562835077.db2.gz	CSONHTMNMXKJEM-WJOKGBTCSA-N	-1	3	552.587	3.294	1	30		KGEFHM
Cc1cc(COc2ccc(S(=O)(=O)NC[C@@H](C(=O)N[O-])N3CCN(C(=O)OCc4ccccc4)CC3)cc2)c2ccccc2n1	ZINC000144306569	562836095	/nfs/dbraw/zinc/83/60/95/562836095.db2.gz	WYQFYOPMZXRDFX-PMERELPUSA-N	-1	3	633.727	3.229	1	30		KGEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5ccncc5)ccc4O)cc3)NC(=O)[N-]C1=O)C2	ZINC000149686832	562842747	/nfs/dbraw/zinc/84/27/47/562842747.db2.gz	RYOVKXCBDJGFCU-WJOKGBTCSA-N	-1	3	545.555	3.111	1	30		KGEFHM
CC=C(C)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)O[C@H]1C=COC=C2C[C@@]3(SC)C(=O)N4c5c(cccc5[O-])[C@@H](O)[C@@]4(SC)C(=O)N3[C@@H]21	ZINC000169291921	562851965	/nfs/dbraw/zinc/85/19/65/562851965.db2.gz	NUNCDQJROUUESZ-UOGYOIGDSA-N	-1	3	644.768	3.013	1	30		KGEFHM
CC=C(C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)O[C@H]1C=COC=C2C[C@@]3(SC)C(=O)N4c5c(cccc5[O-])[C@@H](O)[C@@]4(SC)C(=O)N3[C@@H]21	ZINC000169291922	562851963	/nfs/dbraw/zinc/85/19/63/562851963.db2.gz	NUNCDQJROUUESZ-ROKVZIRZSA-N	-1	3	644.768	3.013	1	30		KGEFHM
CC(C)c1cc(-n2nnc(C(=O)NCCCCCCC(=O)N[O-])c2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O	ZINC000169306705	562853596	/nfs/dbraw/zinc/85/35/96/562853596.db2.gz	IBHAGSBJXPUIFA-UHFFFAOYSA-N	-1	3	580.686	3.487	1	30		KGEFHM
Cc1c(Cc2ccc(=O)n(Cc3cccc(F)c3F)c2)c2cc(F)ccc2n1CC(=O)O[N-]S(C)(=O)=O	ZINC000169311306	562855097	/nfs/dbraw/zinc/85/50/97/562855097.db2.gz	HTYAPKFZNZWULL-UHFFFAOYSA-N	-1	3	533.528	3.175	1	30		KGEFHM
Cc1ccc2c(C)c3c(c(O)c2c1O)C(=O)[C@]1(O)C(=O)C(C(C)NNc2ccccc2)=C([O-])C(N)=C1C3	ZINC000169320605	562856458	/nfs/dbraw/zinc/85/64/58/562856458.db2.gz	NLDMUVBCGOLDTO-LTLZAMMGSA-N	-1	3	501.539	3.164	1	30		KGEFHM
COc1ccc(N=C(C)C2=C([O-])[C@H]([NH3+])[C@@H]3Cc4c(C)c5ccc(C)c(O)c5c([O-])c4C(=O)[C@]3(O)C2=O)cc1	ZINC000169321386	562856627	/nfs/dbraw/zinc/85/66/27/562856627.db2.gz	JPFUVZXHQWXWFZ-KVCOBDLRSA-N	-1	3	516.550	3.477	1	30		KGEFHM
CC(=Nc1ccc(O)cc1)C1=C([O-])[C@H]([NH3+])[C@@H]2Cc3c(C)c4ccc(C)c(O)c4c([O-])c3C(=O)[C@]2(O)C1=O	ZINC000169321390	562856647	/nfs/dbraw/zinc/85/66/47/562856647.db2.gz	ZQPDHPOGQCTGEP-VZRTUDQHSA-N	-1	3	502.523	3.174	1	30		KGEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@@H](N=O)c4ccc(F)cc4)cc3)NC(=O)[N-]C1=O)C2	ZINC000169694511	562865308	/nfs/dbraw/zinc/86/53/08/562865308.db2.gz	UFSWRYZRPXSFGW-UFHPHHKVSA-N	-1	3	512.497	3.276	1	30		KGEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@H](N=O)c4ccc(F)cc4)cc3)NC(=O)[N-]C1=O)C2	ZINC000169694512	562865300	/nfs/dbraw/zinc/86/53/00/562865300.db2.gz	UFSWRYZRPXSFGW-RBJSKKJNSA-N	-1	3	512.497	3.276	1	30		KGEFHM
CCCC[C@H]1C(=O)O[C@H]2c3cc(C)cc([O-])c3C3=C(C(=O)c4c(O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)cccc4C3=O)N12	ZINC000205495733	562875474	/nfs/dbraw/zinc/87/54/74/562875474.db2.gz	YMBCQAMVBMTDAL-OTHGIPIRSA-N	-1	3	549.576	3.156	1	30		KGEFHM
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)[C@@H]2O	ZINC000299826352	562883804	/nfs/dbraw/zinc/88/38/04/562883804.db2.gz	LRGZEXDBBAAUTC-AOPCRLKLSA-N	-1	3	697.778	3.481	1	30		KGEFHM
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)[C@@H]2O	ZINC000299826358	562883806	/nfs/dbraw/zinc/88/38/06/562883806.db2.gz	LRGZEXDBBAAUTC-COOULPSXSA-N	-1	3	697.778	3.481	1	30		KGEFHM
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)[C@@H]2O	ZINC000299826365	562883802	/nfs/dbraw/zinc/88/38/02/562883802.db2.gz	LRGZEXDBBAAUTC-IIHRGDSRSA-N	-1	3	697.778	3.481	1	30		KGEFHM
CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)[C@@H]2O	ZINC000299826373	562883847	/nfs/dbraw/zinc/88/38/47/562883847.db2.gz	LRGZEXDBBAAUTC-VFUGJKACSA-N	-1	3	697.778	3.481	1	30		KGEFHM
C/C(=C/C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c([O-])cccc5O[C@]431)C2=O)COC(=O)CN1CCCC1	ZINC000299850611	562890638	/nfs/dbraw/zinc/89/06/38/562890638.db2.gz	CDMFZSBCKIXDIX-MEPDQKTNSA-N	-1	3	507.583	3.374	1	30		KGEFHM
C/C(=C/C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c([O-])cccc5O[C@]431)C2=O)COC(=O)Cn1ccnc1	ZINC000299852693	562890996	/nfs/dbraw/zinc/89/09/96/562890996.db2.gz	WLODDEDSUNPLMG-CUBOQHOMSA-N	-1	3	504.539	3.175	1	30		KGEFHM
COc1ccc(Oc2ccc(S(=O)(=O)[C@]3(C(=O)N[O-])CCC4(C3)CCN(C(C)=O)CC4)cc2)cc1	ZINC000299857226	562892142	/nfs/dbraw/zinc/89/21/42/562892142.db2.gz	DYBVZAZWVGRLPI-RUZDIDTESA-N	-1	3	502.589	3.318	1	30		KGEFHM
COc1ccc(Oc2ccc(S(=O)(=O)[C@@]3(C(=O)N[O-])CCC4(C3)CCN(C(C)=O)CC4)cc2)cc1	ZINC000299857227	562892104	/nfs/dbraw/zinc/89/21/04/562892104.db2.gz	DYBVZAZWVGRLPI-VWLOTQADSA-N	-1	3	502.589	3.318	1	30		KGEFHM
CCCC[C@H]1C(=O)O[C@@H]2c3cc(C)cc([O-])c3C3=C(C(=O)c4c(O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)cccc4C3=O)N21	ZINC000473110957	562898578	/nfs/dbraw/zinc/89/85/78/562898578.db2.gz	YMBCQAMVBMTDAL-RSEJGCGGSA-N	-1	3	549.576	3.156	1	30		KGEFHM
COc1cccc2c1/C(=N/C[C@@]1(c3ccccc3)CC[C@@H](OC(=O)N(C)CCN(C)C)CC1)[N-]S2(=O)=O	ZINC000473114695	562898927	/nfs/dbraw/zinc/89/89/27/562898927.db2.gz	OYHASWSOIHPBLC-GBWRQWNLSA-N	-1	3	528.675	3.244	1	30		KGEFHM
Cc1cc(S(=O)(=O)N(Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@H](C)C(=O)N[O-])ccc1F	ZINC000473150194	562901549	/nfs/dbraw/zinc/90/15/49/562901549.db2.gz	LIOQOJPTHHLYDN-QGZVFWFLSA-N	-1	3	509.600	3.286	1	30		KGEFHM
O=C(N[O-])[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000473158387	562902579	/nfs/dbraw/zinc/90/25/79/562902579.db2.gz	WIGAWQAOMBSMTI-HTAPYJJXSA-N	-1	3	570.476	3.276	1	30		KGEFHM
O=C(N[O-])[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000473158388	562902543	/nfs/dbraw/zinc/90/25/43/562902543.db2.gz	WIGAWQAOMBSMTI-VGOFRKELSA-N	-1	3	570.476	3.276	1	30		KGEFHM
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[O-]	ZINC000653782597	562912228	/nfs/dbraw/zinc/91/22/28/562912228.db2.gz	PNZSFAIFZOCNSZ-IIZLTXOPSA-N	-1	3	570.646	3.138	1	30		KGEFHM