smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1ccc2cc(Cl)c3ccccc3c2c1	ZINC000001593458	180587694	/nfs/dbraw/zinc/58/76/94/180587694.db2.gz	CRSUMWXUPNRJSN-UHFFFAOYSA-N	0	0	247.124	5.300	40	5		BKBBRN
CCc1cc2c(ccc3ccccc32)c2c1CCC2	ZINC000001595255	171776503	/nfs/dbraw/zinc/77/65/03/171776503.db2.gz	JSCFRTVIFXXMCK-UHFFFAOYSA-N	0	0	246.353	5.044	40	5		BKBBRN
Cc1cccc2cc3ccc4ccccc4c3cc12	ZINC000001601908	179227993	/nfs/dbraw/zinc/22/79/93/179227993.db2.gz	ARHCZXQENFEAFA-UHFFFAOYSA-N	0	0	242.321	5.455	40	5	aggregator,in-vitro	BKBBRN
c1cc2ccc3ccc4cccc5oc(c1)c2c3c45	ZINC000001627067	183376329	/nfs/dbraw/zinc/37/63/29/183376329.db2.gz	UZHFDCLFBVPDGM-UHFFFAOYSA-N	0	0	242.277	5.330	40	5		BKBBRN
Cc1cccc2c1ccc1cc(C(C)C)ccc12	ZINC000001628335	179225389	/nfs/dbraw/zinc/22/53/89/179225389.db2.gz	NXLOLUFNDSBYTP-UHFFFAOYSA-N	0	0	234.342	5.425	40	5		BKBBRN
Clc1c(Cl)c2ccccc2c2ccccc12	ZINC000001632780	180574094	/nfs/dbraw/zinc/57/40/94/180574094.db2.gz	VQJFGZPCLSPUPP-UHFFFAOYSA-N	0	0	247.124	5.300	40	5		BKBBRN
CCc1c2ccccc2c(CC)c2ccccc21	ZINC000001661407	342707397	/nfs/dbraw/zinc/70/73/97/342707397.db2.gz	NZVLXSFYCZSHRF-UHFFFAOYSA-N	0	0	234.342	5.118	40	5		BKBBRN
Cc1cccc2cc3c(cc12)sc1ccccc13	ZINC000001665634	179228437	/nfs/dbraw/zinc/22/84/37/179228437.db2.gz	CKOZCPVQNQOFGX-UHFFFAOYSA-N	0	0	248.350	5.516	40	5		BKBBRN
Cc1cc(C)c2cc3cc(C)cc(C)c3cc2c1	ZINC000001696502	386622307	/nfs/dbraw/zinc/62/23/07/386622307.db2.gz	XIEFJNBXVCEFSH-UHFFFAOYSA-N	0	0	234.342	5.227	40	5		BKBBRN
Cc1cc(C)c2c(ccc3cc(C)cc(C)c32)c1	ZINC000001722245	177884901	/nfs/dbraw/zinc/88/49/01/177884901.db2.gz	BZXXZUAJRXKPOF-UHFFFAOYSA-N	0	0	234.342	5.227	40	5		BKBBRN
Cc1cc2c(C)c3ccccc3c(C)c2cc1C	ZINC000002383052	178278768	/nfs/dbraw/zinc/27/87/68/178278768.db2.gz	IIHOYEVHCCKZAN-UHFFFAOYSA-N	0	0	234.342	5.227	40	5		BKBBRN
CCCCc1c2ccccc2cc2ccccc21	ZINC000002507953	169018427	/nfs/dbraw/zinc/01/84/27/169018427.db2.gz	VNCDUSIZHQJFOG-UHFFFAOYSA-N	0	0	234.342	5.336	40	5		BKBBRN
Fc1ccc2ccc3c4ccccc4ccc3c2c1	ZINC000002539117	180990667	/nfs/dbraw/zinc/99/06/67/180990667.db2.gz	MUIBVBFEZPCUGU-UHFFFAOYSA-N	0	0	246.284	5.285	40	5		BKBBRN
CCCc1ccc2ccc3cccc4ccc1c2c34	ZINC000002539171	342723425	/nfs/dbraw/zinc/72/34/25/342723425.db2.gz	HIOZPFGGCXEPAP-UHFFFAOYSA-N	0	0	244.337	5.537	40	5		BKBBRN
c1scc2c1c1cscc1c1cscc21	ZINC000002556263	342723702	/nfs/dbraw/zinc/72/37/02/342723702.db2.gz	INZUTJPYADZZEL-UHFFFAOYSA-N	0	0	246.381	5.331	40	5		BKBBRN
Cc1c(C)c(C)c2cc3ccccc3cc2c1C	ZINC000002558812	342724045	/nfs/dbraw/zinc/72/40/45/342724045.db2.gz	ZMQYNEJFQGWMIX-UHFFFAOYSA-N	0	0	234.342	5.227	40	5		BKBBRN
c1cc2cc3cccc4ccc5ccc1c2c5c43	ZINC000002558822	183376463	/nfs/dbraw/zinc/37/64/63/183376463.db2.gz	BZCXQYVNASLLQO-UHFFFAOYSA-N	0	0	226.278	5.175	40	5	in-vitro	BKBBRN
Cc1ccc2c(C)cc3c(C)c(C)ccc3c2c1	ZINC000002558897	178939512	/nfs/dbraw/zinc/93/95/12/178939512.db2.gz	XFJWRZAPBOJONX-UHFFFAOYSA-N	0	0	234.342	5.227	40	5		BKBBRN
CCc1ccc2c3cccc(C)c3cc(C)c2c1	ZINC000002558899	384168402	/nfs/dbraw/zinc/16/84/02/384168402.db2.gz	NFFCDFHAMXFVEK-UHFFFAOYSA-N	0	0	234.342	5.172	40	5		BKBBRN
CCc1ccc2ccc3cccc4ccc1c2c34	ZINC000002565451	171850857	/nfs/dbraw/zinc/85/08/57/171850857.db2.gz	ZWAMZDRREBOHIO-UHFFFAOYSA-N	0	0	230.310	5.146	40	5		BKBBRN
Cc1c(C)c2cccc3ccc4cccc1c4c32	ZINC000002583663	342725858	/nfs/dbraw/zinc/72/58/58/342725858.db2.gz	MCZKPUHBCIHFBZ-UHFFFAOYSA-N	0	0	230.310	5.201	40	5		BKBBRN
CC(F)(F)c1c2ccccc2cc2ccccc21	ZINC000072265635	167818030	/nfs/dbraw/zinc/81/80/30/167818030.db2.gz	LMERZGNDUBHSEO-UHFFFAOYSA-N	0	0	242.268	5.105	40	5		BKBBRN
Cc1ccc2c(ccc3cc(C(C)C)ccc32)c1	ZINC000079669988	384508812	/nfs/dbraw/zinc/50/88/12/384508812.db2.gz	PZXAJZLIFJZISL-UHFFFAOYSA-N	0	0	234.342	5.425	40	5		BKBBRN
CCc1c2ccccc2c2ccccc2c1CC	ZINC000095864312	171742380	/nfs/dbraw/zinc/74/23/80/171742380.db2.gz	JURXVMQHSBALPL-UHFFFAOYSA-N	0	0	234.342	5.118	40	5		BKBBRN
c1ccccccccccccccccc1	ZINC000100074375	183462160	/nfs/dbraw/zinc/46/21/60/183462160.db2.gz	STQWAGYDANTDNA-UHFFFAOYSA-N	0	0	234.342	5.060	40	5	in-vitro	BKBBRN
Cc1ccc2ccc3ccc(C)c(C)c3c2c1C	ZINC000104149825	178970897	/nfs/dbraw/zinc/97/08/97/178970897.db2.gz	BUSLHLOSCTVNRQ-UHFFFAOYSA-N	0	0	234.342	5.227	40	5		BKBBRN
Cc1cc2[nH]c3c(ccc4ccccc34)c2c(C)c1	ZINC000242722862	488005835	/nfs/dbraw/zinc/00/58/35/488005835.db2.gz	XXKFXZVJRWTVQA-UHFFFAOYSA-N	0	0	245.325	5.091	40	5		BKBBRN
CCc1cccc2c(C)cc3c(C)cccc3c12	ZINC000299888507	369367439	/nfs/dbraw/zinc/36/74/39/369367439.db2.gz	MDZYWNWRMJIOPN-UHFFFAOYSA-N	0	0	234.342	5.172	40	5		BKBBRN