smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/c1c[nH]c2ccccc12)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000014096587	561736568	/nfs/dbraw/zinc/73/65/68/561736568.db2.gz	AFKRYMMWFODFAD-CSKARUKUSA-N	0	1	521.561	4.364	1	70		KIIFMN
O=C(/C=C/c1cnc2ccccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784561	562087730	/nfs/dbraw/zinc/08/77/30/562087730.db2.gz	WIWLEFDYNDBBIF-JXMROGBWSA-N	0	1	533.572	4.431	1	70		KIIFMN
O=C(/C=C/c1ccc2ncccc2c1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784571	562087763	/nfs/dbraw/zinc/08/77/63/562087763.db2.gz	PCVICCVMMOFTLF-UXBLZVDNSA-N	0	1	533.572	4.431	1	70		KIIFMN
CC(=O)c1cccc(C=CC(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1	ZINC000042784579	562087705	/nfs/dbraw/zinc/08/77/05/562087705.db2.gz	NUWDDLFERGKQRG-JXMROGBWSA-N	0	1	524.561	4.086	1	70		KIIFMN
O=C(/C=C/c1ccc2ccccc2n1)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784694	562087899	/nfs/dbraw/zinc/08/78/99/562087899.db2.gz	NNMGGNROJQCPDV-ZRDIBKRKSA-N	0	1	533.572	4.431	1	70		KIIFMN
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	ZINC000161020724	562849146	/nfs/dbraw/zinc/84/91/46/562849146.db2.gz	MYAVIZSWDHVTAO-QBOWUWCZSA-N	0	1	702.893	4.116	1	70		KIIFMN
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(CO)(Cc2ccccc2)CC1	ZINC000217624600	562877642	/nfs/dbraw/zinc/87/76/42/562877642.db2.gz	NXHOWUARWCORFV-UHFFFAOYSA-N	0	1	515.635	4.493	1	70		KIIFMN
O=C(c1ccc(NS(=O)(=O)c2cccc3cc(F)cnc32)cc1)N1CCC(O)(Cc2ccccc2)CC1	ZINC000217630023	562877683	/nfs/dbraw/zinc/87/76/83/562877683.db2.gz	CXFNLQVBBXXSRO-UHFFFAOYSA-N	0	1	519.598	4.385	1	70		KIIFMN
O=C(c1ccc(NS(=O)(=O)c2cccc3cc(F)cnc32)cc1)N1CCC(O)(c2ccccc2)CC1	ZINC000217631705	562877669	/nfs/dbraw/zinc/87/76/69/562877669.db2.gz	KXJBCHBLNORODC-UHFFFAOYSA-N	0	1	505.571	4.299	1	70		KIIFMN
COc1ncccc1-c1c2nc(Nc3cccc(N4CCN(C)CC4)c3OC(C)C)ncc2sc1C(N)=O	ZINC000217635869	562877673	/nfs/dbraw/zinc/87/76/73/562877673.db2.gz	DRVZVFNOIVQRIO-UHFFFAOYSA-N	0	1	533.658	4.143	1	70		KIIFMN
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(C[C@@H]2CC2(F)F)CC1	ZINC000217642562	562877677	/nfs/dbraw/zinc/87/76/77/562877677.db2.gz	AFQXYFLJXZZBCV-LJQANCHMSA-N	0	1	501.555	4.048	1	70		KIIFMN
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(C[C@H]2CC2(F)F)CC1	ZINC000217642654	562877689	/nfs/dbraw/zinc/87/76/89/562877689.db2.gz	AFQXYFLJXZZBCV-IBGZPJMESA-N	0	1	501.555	4.048	1	70		KIIFMN
Cc1nc(F)ccc1C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c4cccnc43)cc2)CC1	ZINC000217643004	562877681	/nfs/dbraw/zinc/87/76/81/562877681.db2.gz	BXUZPGFEQQURLB-UHFFFAOYSA-N	0	1	538.576	4.141	1	70		KIIFMN