smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@@H](C)C1=NC[C@H](C)CC1	ZINC000217205093	569879946	/nfs/dbraw/zinc/87/99/46/569879946.db2.gz	DQCWPGBLFVRMDS-KTTKXZKWSA-N	0	0	497.720	6.546	40	70		JKIBRN
Cc1ccc([C@@]23C[C@H]4C[C@@H](C2)C[C@](C(=O)Nc2cccc(OC(F)(F)C(F)F)c2)(C4)C3)cc1	ZINC000217477180	569880067	/nfs/dbraw/zinc/88/00/67/569880067.db2.gz	AZEAILSWHNGOKA-OZHUBHEGSA-N	0	0	461.499	6.708	40	70		JKIBRN
Cc1cc(O)cc2c1[C@H](c1ccccc1)[C@@H]1CCC[C@@H]3[C@@H](c4ccccc4)NC(=S)N[C@@]31O2	ZINC000217721557	569881196	/nfs/dbraw/zinc/88/11/96/569881196.db2.gz	OSMMFDTVBGGXAE-SBPKXREESA-N	0	0	456.611	5.557	40	70		JKIBRN
COc1c(Br)cc(Br)cc1CNc1ccc(Br)c(Cl)c1	ZINC000218008053	569882420	/nfs/dbraw/zinc/88/24/20/569882420.db2.gz	UOSYXCBFYKJGPD-UHFFFAOYSA-N	0	0	484.413	6.248	40	70		JKIBRN
CC(=O)NC[C@@H](C)CCC1=C(C)[C@H]2[C@](C)(C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O1	ZINC000217204741	569879905	/nfs/dbraw/zinc/87/99/05/569879905.db2.gz	JVOPMXCHSMZBAS-IBKYTZEJSA-N	0	0	469.710	6.152	40	70		JKIBRN
CCc1cc(=O)oc2c(C)c(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)ccc12	ZINC000217458358	569880095	/nfs/dbraw/zinc/88/00/95/569880095.db2.gz	KSTHMKCIXLKGGZ-IQGASKDCSA-N	0	0	477.557	5.302	40	70		JKIBRN
Cc1c(OC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)ccc2c3c(c(=O)oc12)CCCCC3	ZINC000217520007	569880189	/nfs/dbraw/zinc/88/01/89/569880189.db2.gz	XEKKQGDNNLSPJA-KDURUIRLSA-N	0	0	483.605	5.607	40	70		JKIBRN
Cc1c(Cl)c(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)ccc12	ZINC000217548912	569880220	/nfs/dbraw/zinc/88/02/20/569880220.db2.gz	FYYZBOFNEBRJSL-IZAXUBKRSA-N	0	0	483.948	5.393	40	70		JKIBRN
CC(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)C1=NC[C@@H](C)CC1	ZINC000217205105	569879945	/nfs/dbraw/zinc/87/99/45/569879945.db2.gz	DQCWPGBLFVRMDS-JAYAJEONSA-N	0	0	497.720	6.546	40	70		JKIBRN
CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Br)(C3)C2	ZINC000217656792	569880880	/nfs/dbraw/zinc/88/08/80/569880880.db2.gz	DLVRZMCNJPGLGY-NFVGHHCFSA-N	0	0	463.347	5.156	40	70		JKIBRN
CCOc1c(Br)cc(CNc2ccc(Br)c(Cl)c2)cc1Br	ZINC000218005283	569882340	/nfs/dbraw/zinc/88/23/40/569882340.db2.gz	WPUGHJSNBRUXRF-UHFFFAOYSA-N	0	0	498.440	6.638	40	70		JKIBRN
COc1c(Br)cc(CNc2ccc(Br)c(Cl)c2)cc1Br	ZINC000218011868	569882415	/nfs/dbraw/zinc/88/24/15/569882415.db2.gz	NKDNBTCRWQMEDO-UHFFFAOYSA-N	0	0	484.413	6.248	40	70		JKIBRN
C[C@H](CC[C@](C)(O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000217204483	569879848	/nfs/dbraw/zinc/87/98/48/569879848.db2.gz	YTYFNWLHEUUCIW-FASAFFAUSA-N	0	0	450.707	7.250	40	70		JKIBRN
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)CC1	ZINC000217477435	569880085	/nfs/dbraw/zinc/88/00/85/569880085.db2.gz	WFOFORPOTPCAOD-IZAXUBKRSA-N	0	0	493.556	5.402	40	70		JKIBRN
CCc1cc(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)c(Cl)cc12	ZINC000217341253	569879933	/nfs/dbraw/zinc/87/99/33/569879933.db2.gz	YMKZKVVTQYYXME-MSEWRSJXSA-N	0	0	497.975	5.647	40	70		JKIBRN
CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC[C@H]2c2cccnc2)CC1	ZINC000218103285	569882719	/nfs/dbraw/zinc/88/27/19/569882719.db2.gz	ZPPHPPJOQLPAMP-FLABLRJTSA-N	0	0	461.650	5.325	40	70		JKIBRN
CC(=O)NC[C@@H](C)CCC1=C(C)[C@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O1	ZINC000217204624	569879880	/nfs/dbraw/zinc/87/98/80/569879880.db2.gz	CNHACNVJEKRLHF-FBALKPGGSA-N	0	0	455.683	5.761	40	70		JKIBRN
Cc1cc(OC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2c(c1)oc(=O)c1c2CCCC1	ZINC000217350325	569879956	/nfs/dbraw/zinc/87/99/56/569879956.db2.gz	QIWPHXFAHGTRIV-HDICACEKSA-N	0	0	469.578	5.217	40	70		JKIBRN
CCCc1cc(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)ccc12	ZINC000217474060	569880055	/nfs/dbraw/zinc/88/00/55/569880055.db2.gz	ACJMMBHGESVSOW-TYKWCNGQSA-N	0	0	477.557	5.384	40	70		JKIBRN
CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Br)(C3)C2	ZINC000217934759	569882126	/nfs/dbraw/zinc/88/21/26/569882126.db2.gz	MQUJYGBJYHJVTE-BCVIDUSVSA-N	0	0	459.384	5.325	40	70		JKIBRN
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Br)(C3)C2	ZINC000217963149	569882282	/nfs/dbraw/zinc/88/22/82/569882282.db2.gz	PECAFILTICSZFF-DWAZAOQOSA-N	0	0	475.383	5.026	40	70		JKIBRN
CC(=O)NC[C@@H](C)CCC1=C(C)[C@H]2[C@@](C)(C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O1	ZINC000217204729	569879872	/nfs/dbraw/zinc/87/98/72/569879872.db2.gz	JVOPMXCHSMZBAS-ZZTWYXJSSA-N	0	0	469.710	6.152	40	70		JKIBRN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5OC([C@H]6C[C@H](C)CN6C(C)=O)=C(C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1	ZINC000217204763	569879906	/nfs/dbraw/zinc/87/99/06/569879906.db2.gz	SUEGNJCEKLWPFO-FQMNELOKSA-N	0	0	495.704	6.037	40	70		JKIBRN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5OC([C@H]6C[C@@H](C)CN6C(C)=O)=C(C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1	ZINC000217204754	569879930	/nfs/dbraw/zinc/87/99/30/569879930.db2.gz	SUEGNJCEKLWPFO-PYCDZOIYSA-N	0	0	495.704	6.037	40	70		JKIBRN
O=C1[C@H]2[C@H](c3ccccc3)N3CN([C@H]2c2ccccc2)[C@H](c2ccccc2)[C@H]1[C@@H]3c1ccccc1	ZINC000217509279	569880145	/nfs/dbraw/zinc/88/01/45/569880145.db2.gz	RCVDZIWSDINDPY-WOVUZPOESA-N	0	0	456.589	6.355	40	70		JKIBRN
CC(=O)NC[C@@H](C)CCC1=C(C)[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O1	ZINC000217204612	569879839	/nfs/dbraw/zinc/87/98/39/569879839.db2.gz	NNRLQJLRICHBII-WHNHTTAQSA-N	0	0	499.736	6.412	40	70		JKIBRN
C[C@@H](CC[C@](C)(O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000217204498	569879873	/nfs/dbraw/zinc/87/98/73/569879873.db2.gz	YTYFNWLHEUUCIW-HJKSSUAISA-N	0	0	450.707	7.250	40	70		JKIBRN
O=C1[C@@H]2[C@H](c3ccccc3)N3CN([C@@H](c4ccccc4)[C@@H]1[C@H]3c1ccccc1)[C@@H]2c1ccccc1	ZINC000217509192	569880159	/nfs/dbraw/zinc/88/01/59/569880159.db2.gz	RCVDZIWSDINDPY-RXRCGNDWSA-N	0	0	456.589	6.355	40	70		JKIBRN
CCOc1c(Br)cc(Br)cc1CNc1ccc(Br)c(Cl)c1	ZINC000218005177	569882328	/nfs/dbraw/zinc/88/23/28/569882328.db2.gz	UGMGCVAPJGIFEY-UHFFFAOYSA-N	0	0	498.440	6.638	40	70		JKIBRN
Cc1cc(OC(=O)[C@H]2CC[C@H](CNC(=O)OCc3ccccc3)CC2)c2c3c(c(=O)oc2c1)CCC3	ZINC000218016067	569882454	/nfs/dbraw/zinc/88/24/54/569882454.db2.gz	JESYZJDSKXLIDN-TYKWCNGQSA-N	0	0	489.568	5.228	40	70		JKIBRN