smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)CCC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	ZINC000159482658	332143207	/nfs/dbraw/zinc/14/32/07/332143207.db2.gz	CTFRZFHLDUGCSW-GOSISDBHSA-N	0	0	312.457	5.048	20	70		DKIDRN
CC(C)(C)CCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	ZINC000159482806	332143258	/nfs/dbraw/zinc/14/32/58/332143258.db2.gz	CTFRZFHLDUGCSW-SFHVURJKSA-N	0	0	312.457	5.048	20	70		DKIDRN
Cc1ccc(F)c(C(=O)Nc2cc(Cl)c(C)cc2Cl)c1	ZINC000159490445	338527086	/nfs/dbraw/zinc/52/70/86/338527086.db2.gz	LCZKXVYDIVYRCN-UHFFFAOYSA-N	0	0	312.171	5.002	20	70		DKIDRN
Cc1ccc(C(=O)Nc2cc(Cl)c(C)cc2Cl)c(F)c1	ZINC000159491708	338527276	/nfs/dbraw/zinc/52/72/76/338527276.db2.gz	GGCPNQUINPANCJ-UHFFFAOYSA-N	0	0	312.171	5.002	20	70		DKIDRN
Cc1ccc(N[C@@H](C)c2ccccc2C)cc1NC(=O)C(C)(C)C	ZINC000159561940	332660869	/nfs/dbraw/zinc/66/08/69/332660869.db2.gz	ZAXAYDMGVMLKDJ-INIZCTEOSA-N	0	0	324.468	5.461	20	70		DKIDRN
c1cc(SCc2ccc(CSc3ccncc3)cc2)ccn1	ZINC000160018283	332746720	/nfs/dbraw/zinc/74/67/20/332746720.db2.gz	BQKMNTGRKRESFQ-UHFFFAOYSA-N	0	0	324.474	5.061	20	70		DKIDRN
c1ccc(CSc2ccncc2)c(CSc2ccncc2)c1	ZINC000160021045	332746727	/nfs/dbraw/zinc/74/67/27/332746727.db2.gz	MGKJZZCUXXJGON-UHFFFAOYSA-N	0	0	324.474	5.061	20	70		DKIDRN
Cc1ccc(NC(=O)c2cc(C)c(F)cc2Cl)c(Cl)c1	ZINC000161198294	336383494	/nfs/dbraw/zinc/38/34/94/336383494.db2.gz	RELSMMHRTAIVDU-UHFFFAOYSA-N	0	0	312.171	5.002	20	70		DKIDRN
O=C(CCc1ccsc1)Nc1ccccc1Nc1ccccc1	ZINC000216643941	336279297	/nfs/dbraw/zinc/27/92/97/336279297.db2.gz	RHNFIKJKKJZHRI-UHFFFAOYSA-N	0	0	322.433	5.063	20	70		DKIDRN
Cc1cc(C)c(NC(=O)c2cc3cc(F)ccc3s2)c(C)c1	ZINC000216802145	336379488	/nfs/dbraw/zinc/37/94/88/336379488.db2.gz	XHAPMOBZYVKJOU-UHFFFAOYSA-N	0	0	313.397	5.218	20	70		DKIDRN
C[C@H]1C[C@H](Nc2cccc3ccncc32)c2ccsc2S1	ZINC000216909321	337238574	/nfs/dbraw/zinc/23/85/74/337238574.db2.gz	XRSMTOYJJSEUMS-ZBEGNZNMSA-N	0	0	312.463	5.334	20	70		DKIDRN
C[C@H]1C[C@@H](Nc2cccc3ccncc32)c2ccsc2S1	ZINC000216909350	337238517	/nfs/dbraw/zinc/23/85/17/337238517.db2.gz	XRSMTOYJJSEUMS-MEDUHNTESA-N	0	0	312.463	5.334	20	70		DKIDRN
CCOc1cccc(N[C@H]2C[C@H](C)Sc3sccc32)c1	ZINC000216991387	335952627	/nfs/dbraw/zinc/95/26/27/335952627.db2.gz	VSGIWUXVBFZHBK-NHYWBVRUSA-N	0	0	305.468	5.184	20	70		DKIDRN
COc1cc(C)ccc1N[C@H]1C[C@H](C)Sc2sccc21	ZINC000216991819	335953631	/nfs/dbraw/zinc/95/36/31/335953631.db2.gz	BBXCSLZVXILIHL-FZMZJTMJSA-N	0	0	305.468	5.103	20	70		DKIDRN
CSc1ccc(N[C@H]2C[C@H](C)Sc3sccc32)cc1	ZINC000216993000	336271966	/nfs/dbraw/zinc/27/19/66/336271966.db2.gz	XWPYLYPWIYPRAR-HZMBPMFUSA-N	0	0	307.509	5.508	20	70		DKIDRN
CSc1ccc(N[C@@H]2C[C@H](C)Sc3sccc32)cc1	ZINC000216993010	336272051	/nfs/dbraw/zinc/27/20/51/336272051.db2.gz	XWPYLYPWIYPRAR-IINYFYTJSA-N	0	0	307.509	5.508	20	70		DKIDRN
CSc1cccc(N[C@H]2C[C@H](C)Sc3sccc32)c1	ZINC000216996292	337162114	/nfs/dbraw/zinc/16/21/14/337162114.db2.gz	KLGJDPVVDHHVMU-HZMBPMFUSA-N	0	0	307.509	5.508	20	70		DKIDRN
CSc1cccc(N[C@@H]2C[C@H](C)Sc3sccc32)c1	ZINC000216996303	337162097	/nfs/dbraw/zinc/16/20/97/337162097.db2.gz	KLGJDPVVDHHVMU-IINYFYTJSA-N	0	0	307.509	5.508	20	70		DKIDRN
CCOc1ccccc1N[C@@H]1C[C@H](C)Sc2sccc21	ZINC000216999285	333206961	/nfs/dbraw/zinc/20/69/61/333206961.db2.gz	SAKNDONBXLGNIW-SMDDNHRTSA-N	0	0	305.468	5.184	20	70		DKIDRN
CCOc1ccccc1N[C@H]1C[C@H](C)Sc2sccc21	ZINC000216999293	333207041	/nfs/dbraw/zinc/20/70/41/333207041.db2.gz	SAKNDONBXLGNIW-FZMZJTMJSA-N	0	0	305.468	5.184	20	70		DKIDRN
COc1ccc(C)cc1N[C@@H]1C[C@H](C)Sc2sccc21	ZINC000217000309	340486379	/nfs/dbraw/zinc/48/63/79/340486379.db2.gz	MJINZOLXZAZRIM-WCQYABFASA-N	0	0	305.468	5.103	20	70		DKIDRN
COc1ccc(C)cc1N[C@H]1C[C@H](C)Sc2sccc21	ZINC000217000321	340486316	/nfs/dbraw/zinc/48/63/16/340486316.db2.gz	MJINZOLXZAZRIM-AAEUAGOBSA-N	0	0	305.468	5.103	20	70		DKIDRN
CC[C@@H]1CCCCN1C(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000217269055	340487338	/nfs/dbraw/zinc/48/73/38/340487338.db2.gz	WMKROBBBEYROTO-LJQANCHMSA-N	0	0	308.425	5.150	20	70		DKIDRN
CC[C@H]1CCCCN1C(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000217269057	340487341	/nfs/dbraw/zinc/48/73/41/340487341.db2.gz	WMKROBBBEYROTO-IBGZPJMESA-N	0	0	308.425	5.150	20	70		DKIDRN
CC(C)CN(CC(C)C)C(=O)Nc1cc(Cl)ccc1Cl	ZINC000217302725	331565953	/nfs/dbraw/zinc/56/59/53/331565953.db2.gz	UUFAQSYWBQSSEG-UHFFFAOYSA-N	0	0	317.260	5.139	20	70		DKIDRN
Cc1ccc(C)c(NC(=O)Nc2cc(Cl)ccc2Cl)c1	ZINC000217302727	340712424	/nfs/dbraw/zinc/71/24/24/340712424.db2.gz	SOHWIDARCARQFE-UHFFFAOYSA-N	0	0	309.196	5.254	20	70		DKIDRN
CC(C)(C)c1ccccc1NC(=O)NCCC1CCCCC1	ZINC000217305199	331567148	/nfs/dbraw/zinc/56/71/48/331567148.db2.gz	BPAKBYZITQAWNJ-UHFFFAOYSA-N	0	0	302.462	5.076	20	70		DKIDRN
Clc1cccc(CSCc2cc(-c3ccco3)on2)c1	ZINC000218030565	340491461	/nfs/dbraw/zinc/49/14/61/340491461.db2.gz	NGRSFJUXIQSRQK-UHFFFAOYSA-N	0	0	305.786	5.021	20	70		DKIDRN