smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc([C@H](c2coc3ccccc3c2=O)n2cc[nH+]c2)cc1	ZINC000013675773	201908465	/nfs/dbraw/zinc/90/84/65/201908465.db2.gz	ZYDFLNTVLZWITD-LJQANCHMSA-N	1	2	327.343	3.499	1	30		EGEFLO
c1ccc2c(c1)C(=NCC[NH+]1CCOCC1)c1ccccc1[C@@H]1C[C@@H]21	ZINC000027078914	202151859	/nfs/dbraw/zinc/15/18/59/202151859.db2.gz	DIPXECUEJUTKMY-SFTDATJTSA-N	1	2	332.447	3.441	1	30		EGEFLO
c1ccc2c(c1)C(=[NH+]CCN1CCOCC1)c1ccccc1[C@@H]1C[C@@H]21	ZINC000027078914	202151864	/nfs/dbraw/zinc/15/18/64/202151864.db2.gz	DIPXECUEJUTKMY-SFTDATJTSA-N	1	2	332.447	3.441	1	30		EGEFLO
CCn1c(CCc2ccccc2)[nH+]c2cc(/C=C/C(=O)NO)ccc21	ZINC000036375151	202323664	/nfs/dbraw/zinc/32/36/64/202323664.db2.gz	KLSHPXPMJUGIDY-JLHYYAGUSA-N	1	2	335.407	3.360	1	30		EGEFLO
N#CC1(c2ccc(Cl)cc2)SCC([NH+]2CCOCC2)CS1	ZINC000103169086	204065005	/nfs/dbraw/zinc/06/50/05/204065005.db2.gz	PFGBJOLVUVDTPS-UHFFFAOYSA-N	1	2	340.901	3.197	1	30		EGEFLO
Cc1ccc(/C(=N/O)n2cc[nH+]c2)c(Oc2ccc(F)c(F)c2)n1	ZINC000072186505	203183659	/nfs/dbraw/zinc/18/36/59/203183659.db2.gz	BUVOYNFYORPYQM-QNGOZBTKSA-N	1	2	330.294	3.341	1	30		EGEFLO
CC(=O)C1=COC[C@@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@@H]2[N@@H+]1C	ZINC000038693904	213220996	/nfs/dbraw/zinc/22/09/96/213220996.db2.gz	PMIRJPWEIZTLEG-KTGNWYGMSA-N	1	2	336.435	3.215	1	30		EGEFLO
CC(=O)C1=COC[C@@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@@H]2[N@H+]1C	ZINC000038693904	213221000	/nfs/dbraw/zinc/22/10/00/213221000.db2.gz	PMIRJPWEIZTLEG-KTGNWYGMSA-N	1	2	336.435	3.215	1	30		EGEFLO
Cc1nnc(C2CCN(c3cccc[nH+]3)CC2)n1-c1ccc(C#N)cc1	ZINC000072123181	216015385	/nfs/dbraw/zinc/01/53/85/216015385.db2.gz	FUFDDQTYCBJHQU-UHFFFAOYSA-N	1	2	344.422	3.226	1	30		EGEFLO
Cn1c[nH+]cc1C#Cc1ccc2cc(C3(O)CCCCC3)oc(=O)c2c1	ZINC000036388913	213093335	/nfs/dbraw/zinc/09/33/35/213093335.db2.gz	GWLZBXPQTKXSTM-UHFFFAOYSA-N	1	2	348.402	3.078	3	30		EGEFLO
CC(C)(C)c1cc(-c2nsc(NC(N)=[NH2+])n2)cc(C(C)(C)C)c1O	ZINC000027194174	212548805	/nfs/dbraw/zinc/54/88/05/212548805.db2.gz	NBOPYOBZQNDPOJ-UHFFFAOYSA-N	1	2	347.488	3.411	1	30		EGEFLO
Cc1cn(/C(=N\O)c2cccnc2Oc2c(F)cccc2F)c[nH+]1	ZINC000072184476	216066967	/nfs/dbraw/zinc/06/69/67/216066967.db2.gz	NLKGMLZPHDCNHR-QNGOZBTKSA-N	1	2	330.294	3.341	1	30		EGEFLO
Cn1cc[nH+]c1-c1ccc([C@H]2[C@H](C(=O)NO)[C@@H]2c2ccccc2)cc1	ZINC000103251633	219275270	/nfs/dbraw/zinc/27/52/70/219275270.db2.gz	GBGPACXMYDEVFM-KZNAEPCWSA-N	1	2	333.391	3.090	1	30		EGEFLO
C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@H](C=O)C1C(=O)OCC	ZINC000100038007	219089009	/nfs/dbraw/zinc/08/90/09/219089009.db2.gz	VXGKJYZITFFGRK-GBUWSYLDSA-N	1	2	343.379	3.057	1	30		EGEFLO
O=C(NO)[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1F	ZINC000028765862	581096417	/nfs/dbraw/zinc/09/64/17/581096417.db2.gz	BANNGSDJUNVCOQ-CQSZACIVSA-N	1	2	342.292	3.181	1	30		EGEFLO
Cc1sc2c(c1C)C(=O)C(=CNc1cc[nH+]cc1)S(=O)(=O)N2C	ZINC000101754191	219160935	/nfs/dbraw/zinc/16/09/35/219160935.db2.gz	AVSWNQJTMPAGHJ-CAOOACKPSA-N	1	2	349.437	3.169	1	30		EGEFLO
COc1cccc(/C=C2\C[NH2+]C/C(=C\c3cccc(OC)c3)C2=O)c1	ZINC000039326804	213234155	/nfs/dbraw/zinc/23/41/55/213234155.db2.gz	PDYUNTKNISUYSH-BEQMOXJMSA-N	1	2	335.403	3.343	1	30		EGEFLO
COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)n1cc[nH+]c1	ZINC000072102728	216007920	/nfs/dbraw/zinc/00/79/20/216007920.db2.gz	KCMKDWQNNXCMMG-FXBPSFAMSA-N	1	2	338.367	3.380	1	30		EGEFLO
Cc1[nH+]cc2n1[C@@H]1[C@H](N=C2Nc2c(C)cccc2Cl)C(C)=NN1C	ZINC000036187622	213075675	/nfs/dbraw/zinc/07/56/75/213075675.db2.gz	VVCCPVFLCHZEGL-NVXWUHKLSA-N	1	2	342.834	3.023	1	30		EGEFLO
Cc1[nH+]cc2n1[C@@H]1[C@@H](N=C2Nc2c(C)cccc2Cl)C(C)=NN1C	ZINC000036187621	213076041	/nfs/dbraw/zinc/07/60/41/213076041.db2.gz	VVCCPVFLCHZEGL-DOTOQJQBSA-N	1	2	342.834	3.023	1	30		EGEFLO
c1ccc2c(c1)C(=NCC[NH+]1CCOCC1)c1ccccc1[C@H]1C[C@@H]21	ZINC000027078902	202152024	/nfs/dbraw/zinc/15/20/24/202152024.db2.gz	DIPXECUEJUTKMY-OYRHEFFESA-N	1	2	332.447	3.441	1	30		EGEFLO
c1ccc2c(c1)C(=[NH+]CCN1CCOCC1)c1ccccc1[C@H]1C[C@@H]21	ZINC000027078902	202152025	/nfs/dbraw/zinc/15/20/25/202152025.db2.gz	DIPXECUEJUTKMY-OYRHEFFESA-N	1	2	332.447	3.441	1	30		EGEFLO
N#CCCCn1c2ccccc2[nH+]c1Cn1c2ccccc2oc1=O	ZINC000028824372	202177911	/nfs/dbraw/zinc/17/79/11/202177911.db2.gz	SWBPAUQMPVHMNC-UHFFFAOYSA-N	1	2	332.363	3.296	1	30		EGEFLO
c1ccc2c(c1)C(=NCC[NH+]1CCOCC1)c1ccccc1[C@H]1C[C@H]21	ZINC000027078909	202151874	/nfs/dbraw/zinc/15/18/74/202151874.db2.gz	DIPXECUEJUTKMY-NHCUHLMSSA-N	1	2	332.447	3.441	1	30		EGEFLO
c1ccc2c(c1)C(=[NH+]CCN1CCOCC1)c1ccccc1[C@H]1C[C@H]21	ZINC000027078909	202151878	/nfs/dbraw/zinc/15/18/78/202151878.db2.gz	DIPXECUEJUTKMY-NHCUHLMSSA-N	1	2	332.447	3.441	1	30		EGEFLO
CC(C)(C)c1cc(-c2nnc(NC(N)=[NH2+])s2)cc(C(C)(C)C)c1O	ZINC000036126891	202316980	/nfs/dbraw/zinc/31/69/80/202316980.db2.gz	NWSJNXMRDTXLLZ-UHFFFAOYSA-N	1	2	347.488	3.411	1	30		EGEFLO
O/N=C(/c1ccc(Oc2ccc(-n3cc[nH+]c3)cc2)nc1)N1CC=CC1	ZINC000072101781	203162433	/nfs/dbraw/zinc/16/24/33/203162433.db2.gz	ILXYCSRYKNCFGZ-QOCHGBHMSA-N	1	2	347.378	3.067	1	30		EGEFLO
Cc1c[nH]c(-c2ccc([C@H]3[C@H](C(=O)NO)[C@@H]3c3ccccc3)cc2)[nH+]1	ZINC000103251635	219275372	/nfs/dbraw/zinc/27/53/72/219275372.db2.gz	WYVIUYWRSQDWCQ-KZNAEPCWSA-N	1	2	333.391	3.388	1	30		EGEFLO
N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2cc[nH+]c2)c1	ZINC000038462825	213208813	/nfs/dbraw/zinc/20/88/13/213208813.db2.gz	PPRXFZNIKRYLIS-UHFFFAOYSA-N	1	2	345.391	3.401	1	30		EGEFLO
Cc1[nH+]cc2n1[C@H]1[C@@H](N=C2Nc2c(C)cccc2Cl)C(C)=NN1C	ZINC000028385572	581094089	/nfs/dbraw/zinc/09/40/89/581094089.db2.gz	VVCCPVFLCHZEGL-RDJZCZTQSA-N	1	2	342.834	3.023	1	30		EGEFLO
O=C(/C=C/c1ccc(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1)NO	ZINC000013528235	581101858	/nfs/dbraw/zinc/10/18/58/581101858.db2.gz	UPLNFMGGXWLBTC-MDZDMXLPSA-N	1	2	347.418	3.245	1	30		EGEFLO
O=C(/C=C/c1ccc(C[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1)NO	ZINC000013528235	581101859	/nfs/dbraw/zinc/10/18/59/581101859.db2.gz	UPLNFMGGXWLBTC-MDZDMXLPSA-N	1	2	347.418	3.245	1	30		EGEFLO
C/C(=[NH+]\NC(=S)Nc1ncc(C2CCC2)o1)c1ccc(N)cc1	ZINC000038248342	213206925	/nfs/dbraw/zinc/20/69/25/213206925.db2.gz	FCDYQKRXRJQIMC-KEBDBYFISA-N	1	2	329.429	3.235	1	30		EGEFLO
Cc1[nH+]cc2n1[C@H]1[C@H](N=C2Nc2c(C)cccc2Cl)C(C)=NN1C	ZINC000028385577	581094064	/nfs/dbraw/zinc/09/40/64/581094064.db2.gz	VVCCPVFLCHZEGL-WBVHZDCISA-N	1	2	342.834	3.023	1	30		EGEFLO
CN(C)c1ccc(/C=[NH+]/NC(=S)Nc2ncc(C3CCC3)o2)cc1	ZINC000035845964	213050587	/nfs/dbraw/zinc/05/05/87/213050587.db2.gz	QYMUGFPITKWDMB-VXLYETTFSA-N	1	2	343.456	3.329	1	30		EGEFLO
C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@@H](C=O)C1C(=O)OCC	ZINC000100038004	219089335	/nfs/dbraw/zinc/08/93/35/219089335.db2.gz	VXGKJYZITFFGRK-ZWPWWNDZSA-N	1	2	343.379	3.057	1	30		EGEFLO
O/N=C(/c1ccc(Oc2cccc3cccnc32)nc1)n1cc[nH+]c1	ZINC000072142405	216027078	/nfs/dbraw/zinc/02/70/78/216027078.db2.gz	JGDWPLWIFHEKAI-PYCFMQQDSA-N	1	2	331.335	3.303	1	30		EGEFLO
O=C1C=C[C@H]2[C@@H](c3ccc4c(c3)OCO4)C[C@@H]1[N@H+]2Cc1ccccc1	ZINC000036386169	213093288	/nfs/dbraw/zinc/09/32/88/213093288.db2.gz	ONQQYFYIKCBECT-SQNIBIBYSA-N	1	2	333.387	3.281	1	30		EGEFLO
O=C1C=C[C@H]2[C@@H](c3ccc4c(c3)OCO4)C[C@@H]1[N@@H+]2Cc1ccccc1	ZINC000036386169	213093286	/nfs/dbraw/zinc/09/32/86/213093286.db2.gz	ONQQYFYIKCBECT-SQNIBIBYSA-N	1	2	333.387	3.281	1	30		EGEFLO