smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(Cl)cc1[C@@H]1CC(c2cccs2)=NN1	ZINC000020390553	171179563	/nfs/dbraw/zinc/17/95/63/171179563.db2.gz	CKBGFGXPZGWMPO-JTQLQIEISA-N	-1	3	278.764	3.546	40	10		CHCBHM
O=C1c2ccccc2C([O-])=C2C1=CCC1=C2CC=CC1	ZINC000575628848	570350221	/nfs/dbraw/zinc/35/02/21/570350221.db2.gz	DFYISETUWRPGGX-CVEARBPZSA-N	-1	3	262.308	3.514	40	10		CHCBHM
CN(C)N=Nc1c(-c2cccs2)[n-]nc1C(F)(F)F	ZINC000104119118	567916093	/nfs/dbraw/zinc/91/60/93/567916093.db2.gz	OHBSWBPJBGUEEQ-ICFOKQHNSA-N	-1	3	289.286	3.717	40	10		CHCBHM
CN(C)N=Nc1c(-c2cccs2)n[n-]c1C(F)(F)F	ZINC000104119118	567916094	/nfs/dbraw/zinc/91/60/94/567916094.db2.gz	OHBSWBPJBGUEEQ-ICFOKQHNSA-N	-1	3	289.286	3.717	40	10		CHCBHM
[O-]c1ccc(Cl)cc1[C@H]1CC(c2cccs2)=NN1	ZINC000020390559	171179694	/nfs/dbraw/zinc/17/96/94/171179694.db2.gz	CKBGFGXPZGWMPO-SNVBAGLBSA-N	-1	3	278.764	3.546	40	10		CHCBHM
CN(C)N=Nc1c(-c2cccs2)[n-]nc1C(F)(F)F	ZINC000018115525	567876363	/nfs/dbraw/zinc/87/63/63/567876363.db2.gz	OHBSWBPJBGUEEQ-BMRADRMJSA-N	-1	3	289.286	3.717	40	10		CHCBHM
CN(C)N=Nc1c(-c2cccs2)n[n-]c1C(F)(F)F	ZINC000018115525	567876364	/nfs/dbraw/zinc/87/63/64/567876364.db2.gz	OHBSWBPJBGUEEQ-BMRADRMJSA-N	-1	3	289.286	3.717	40	10		CHCBHM
Cc1ccc(C2=NN[C@](C)(c3ccccc3[O-])S2)cc1	ZINC000005745672	170136251	/nfs/dbraw/zinc/13/62/51/170136251.db2.gz	VUTYCCNLPWRDIN-INIZCTEOSA-N	-1	3	284.384	3.572	40	10		CHCBHM
[O-]c1c(O)cc(-c2ccccc2)cc1Br	ZINC000001621375	567839581	/nfs/dbraw/zinc/83/95/81/567839581.db2.gz	IDRFBHPODIGDRZ-UHFFFAOYSA-N	-1	3	265.106	3.527	40	10		CHCBHM
O=C1c2ccccc2C([O-])=C2C1=CCC1=C2CC=CC1	ZINC000575628851	570350196	/nfs/dbraw/zinc/35/01/96/570350196.db2.gz	DFYISETUWRPGGX-JKSUJKDBSA-N	-1	3	262.308	3.514	40	10		CHCBHM
Cc1ccc(C2=NN[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000000543101	570378568	/nfs/dbraw/zinc/37/85/68/570378568.db2.gz	BTOSROOMEFWDKE-HNNXBMFYSA-N	-1	3	286.762	3.793	40	10		CHCBHM
Cc1ccc(C2=NN[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000000543100	570378554	/nfs/dbraw/zinc/37/85/54/570378554.db2.gz	BTOSROOMEFWDKE-OAHLLOKOSA-N	-1	3	286.762	3.793	40	10		CHCBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(F)cc1	ZINC000013575725	570284715	/nfs/dbraw/zinc/28/47/15/570284715.db2.gz	FVMRIOYMIOSPLQ-WJDWOHSUSA-N	-1	3	295.317	3.544	40	10		CHCBHM
S=C1CCN(Cc2ccccc2)c2ccccc2[N-]1	ZINC000004004786	567854642	/nfs/dbraw/zinc/85/46/42/567854642.db2.gz	NKSXKIMLPQFLEX-UHFFFAOYSA-N	-1	3	268.385	3.836	40	10		CHCBHM
[O-]c1ccc(Br)cc1CNc1ccccc1	ZINC000076275359	567890536	/nfs/dbraw/zinc/89/05/36/567890536.db2.gz	ZGRXFBIGVXAXAE-UHFFFAOYSA-N	-1	3	278.149	3.767	40	10		CHCBHM
O=C1c2ccccc2C([O-])=C2C1=CCC1=C2CC=CC1	ZINC000575628850	570350178	/nfs/dbraw/zinc/35/01/78/570350178.db2.gz	DFYISETUWRPGGX-HZPDHXFCSA-N	-1	3	262.308	3.514	40	10		CHCBHM
[O-]c1cc2cncc(Cc3ccc(Cl)cc3)c2cc1O	ZINC000095868184	185030210	/nfs/dbraw/zinc/03/02/10/185030210.db2.gz	RPCLPHHQEYSOPH-UHFFFAOYSA-N	-1	3	285.730	3.890	40	10		CHCBHM
[O-]c1cc2c(cncc2Cc2ccc(Cl)cc2)cc1O	ZINC000095868184	185030212	/nfs/dbraw/zinc/03/02/12/185030212.db2.gz	RPCLPHHQEYSOPH-UHFFFAOYSA-N	-1	3	285.730	3.890	40	10		CHCBHM
O=C1c2ccccc2C([O-])=C2C1=CCC1=C2CC=CC1	ZINC000575628849	570350187	/nfs/dbraw/zinc/35/01/87/570350187.db2.gz	DFYISETUWRPGGX-HOTGVXAUSA-N	-1	3	262.308	3.514	40	10		CHCBHM
Cc1ccc(C2=NN[C@@](C)(c3ccccc3[O-])S2)cc1	ZINC000005745640	170136103	/nfs/dbraw/zinc/13/61/03/170136103.db2.gz	VUTYCCNLPWRDIN-MRXNPFEDSA-N	-1	3	284.384	3.572	40	10		CHCBHM
O=N[N-]c1ccc(Sc2ccc(NN=O)cn2)nc1	ZINC000012951807	567864206	/nfs/dbraw/zinc/86/42/06/567864206.db2.gz	NGUGEFCHKYLUKF-UHFFFAOYSA-N	-1	3	276.281	3.574	40	10		CHCBHM
CC(=Nc1ccccc1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100998854	567914332	/nfs/dbraw/zinc/91/43/32/567914332.db2.gz	FKVGCHMWYAXYCH-LGMDPLHJSA-N	-1	3	291.354	3.795	40	10		CHCBHM
[O-]c1cc(-n2cccc2)ccc1-c1nc2ccccc2o1	ZINC000226281865	567040834	/nfs/dbraw/zinc/04/08/34/567040834.db2.gz	DVDJGLUKYXMRPN-UHFFFAOYSA-N	-1	3	276.295	3.991	40	10		CHCBHM