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([N-]CCn1ccnn1)C(F)(F)F	ZINC000159674639	350962837	/nfs/dbraw/zinc/96/28/37/350962837.db2.gz	KLBBQSKXUZSUFH-UHFFFAOYSA-N	-1	0	208.143	-0.043	20	70		BBIDRM
O=C(CCCn1cccc1)NCc1n[nH]c(=O)[n-]1	ZINC000159789801	388031334	/nfs/dbraw/zinc/03/13/34/388031334.db2.gz	FKAWCANJJTYILP-UHFFFAOYSA-N	-1	0	249.274	-0.004	20	70		BBIDRM
CC1(C)C[C@H]1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000160120098	323060938	/nfs/dbraw/zinc/06/09/38/323060938.db2.gz	JWBSLQIFEIEVGZ-YFKPBYRVSA-N	-1	0	210.237	-0.240	20	70		BBIDRM
O=C(NCCc1cccc(O)c1)c1nc(=O)[nH][n-]1	ZINC000160190696	323063064	/nfs/dbraw/zinc/06/30/64/323063064.db2.gz	WGNTZWDQCRUHIG-UHFFFAOYSA-N	-1	0	248.242	-0.224	20	70		BBIDRM
CCOC(=O)C[C@@H](C)NC(=O)c1cn[nH]n1	ZINC000160343603	490107895	/nfs/dbraw/zinc/10/78/95/490107895.db2.gz	TZSZNWUCKKCCJK-ZCFIWIBFSA-N	-1	0	226.236	-0.124	20	70		BBIDRM
CCOC(=O)C[C@H](C)NC(=O)c1cn[nH]n1	ZINC000160343741	170233148	/nfs/dbraw/zinc/23/31/48/170233148.db2.gz	TZSZNWUCKKCCJK-LURJTMIESA-N	-1	0	226.236	-0.124	20	70		BBIDRM
Cc1nccc(NCc2n[nH]c(=O)[n-]2)n1	ZINC000160434035	388067760	/nfs/dbraw/zinc/06/77/60/388067760.db2.gz	JVGPGQQXWGEZGP-UHFFFAOYSA-N	-1	0	206.209	-0.191	20	70		BBIDRM
COCCNS(=O)(=O)[N-]CC(F)(F)F	ZINC000160449069	387011809	/nfs/dbraw/zinc/01/18/09/387011809.db2.gz	AWUWMTMUHZIYJF-UHFFFAOYSA-N	-1	0	236.215	-0.381	20	70		BBIDRM
CN(C)S(=O)(=O)[N-]CC(F)(F)F	ZINC000160450210	388066989	/nfs/dbraw/zinc/06/69/89/388066989.db2.gz	AOGIMJITRNFNBC-UHFFFAOYSA-N	-1	0	206.189	-0.055	20	70		BBIDRM
C[C@H](O)CNS(=O)(=O)[N-]CC(F)(F)F	ZINC000160658808	361323991	/nfs/dbraw/zinc/32/39/91/361323991.db2.gz	PYELATLSBGKCCN-BYPYZUCNSA-N	-1	0	236.215	-0.647	20	70		BBIDRM
C[C@@H](O)CNS(=O)(=O)[N-]CC(F)(F)F	ZINC000160658935	133509472	/nfs/dbraw/zinc/50/94/72/133509472.db2.gz	PYELATLSBGKCCN-SCSAIBSYSA-N	-1	0	236.215	-0.647	20	70		BBIDRM
CN(CCO)S(=O)(=O)[N-]CC(F)(F)F	ZINC000160664037	536392353	/nfs/dbraw/zinc/39/23/53/536392353.db2.gz	XIIGKKIWDYEFNE-UHFFFAOYSA-N	-1	0	236.215	-0.693	20	70		BBIDRM
CC1(O)CN(S(=O)(=O)[N-]CC(F)(F)F)C1	ZINC000160702779	387552996	/nfs/dbraw/zinc/55/29/96/387552996.db2.gz	FCICWVGKZCYKKZ-UHFFFAOYSA-N	-1	0	248.226	-0.550	20	70		BBIDRM
CS(=O)(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000217578830	592135344	/nfs/dbraw/zinc/13/53/44/592135344.db2.gz	IADDFCBAIJGVJB-YFKPBYRVSA-N	-1	0	208.239	-0.712	20	70		BBIDRM
CS(=O)(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000217578901	582711680	/nfs/dbraw/zinc/71/16/80/582711680.db2.gz	IADDFCBAIJGVJB-RXMQYKEDSA-N	-1	0	208.239	-0.712	20	70		BBIDRM
C[C@@H]1CN(S(C)(=O)=O)CCN1C(=O)[O-]	ZINC000217923938	592150360	/nfs/dbraw/zinc/15/03/60/592150360.db2.gz	BZZHTQZYGHVGOY-ZCFIWIBFSA-N	-1	0	222.266	-0.370	20	70		BBIDRM
C[C@H]1CN(S(C)(=O)=O)CCN1C(=O)[O-]	ZINC000217924020	592150722	/nfs/dbraw/zinc/15/07/22/592150722.db2.gz	BZZHTQZYGHVGOY-LURJTMIESA-N	-1	0	222.266	-0.370	20	70		BBIDRM
CS(=O)(=O)CCOCCNC(=O)[O-]	ZINC000218652445	582724026	/nfs/dbraw/zinc/72/40/26/582724026.db2.gz	AILWMBNQFHJZFU-UHFFFAOYSA-N	-1	0	211.239	-0.685	20	70		BBIDRM