smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2c(cc1C)CN(c1cccc(C(=O)NCc3n[nH]c(=O)[n-]3)c1)C2	ZINC000217078005	206363333	/nfs/dbraw/zinc/36/33/33/206363333.db2.gz	ZRTYRWWGLNASGP-UHFFFAOYSA-N	-1	0	363.421	2.165	50	70		FEIARM
COc1cccc(-c2cc(C(=O)Nc3n[nH]c(C(F)(F)F)n3)n[nH]2)c1	ZINC000160808246	206228492	/nfs/dbraw/zinc/22/84/92/206228492.db2.gz	MXKNVUOWDSNYKN-UHFFFAOYSA-N	-1	0	352.276	2.475	50	70		FEIARM
COC(=O)C[C@H](c1coc2ccccc2c1=O)c1c([O-])cc(C)oc1=O	ZINC000217940873	548684098	/nfs/dbraw/zinc/68/40/98/548684098.db2.gz	XIFXXDFOXZIPEE-GFCCVEGCSA-N	-1	0	356.330	2.455	50	70		FEIARM
COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1c([O-])cc(C)oc1=O	ZINC000218087842	523279335	/nfs/dbraw/zinc/27/93/35/523279335.db2.gz	TVVAZYYVFRMLMK-NSHDSACASA-N	-1	0	362.334	2.086	50	70		FEIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cnn(C)c1	ZINC000218039934	548684195	/nfs/dbraw/zinc/68/41/95/548684195.db2.gz	CPHSONSZRCGIRL-LLVKDONJSA-N	-1	0	368.345	2.184	50	70		FEIARM
C[C@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1cn2ccsc2n1	ZINC000218040964	209662934	/nfs/dbraw/zinc/66/29/34/209662934.db2.gz	QMPJSDTUYMMHGL-NSHDSACASA-N	-1	0	353.407	2.366	50	70		FEIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccnn1C	ZINC000218006232	548683384	/nfs/dbraw/zinc/68/33/84/548683384.db2.gz	BMDUXGFWHMVTCN-SNVBAGLBSA-N	-1	0	368.345	2.184	50	70		FEIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cnn(C)c1	ZINC000218039862	548683848	/nfs/dbraw/zinc/68/38/48/548683848.db2.gz	CPHSONSZRCGIRL-NSHDSACASA-N	-1	0	368.345	2.184	50	70		FEIARM
O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)[C@@H]1OCCc2ccccc21	ZINC000161298240	546117701	/nfs/dbraw/zinc/11/77/01/546117701.db2.gz	XYQJWIUMZKABPL-MRXNPFEDSA-N	-1	0	367.373	2.225	50	70		FEIARM
O=C(NCc1n[nH]c(=O)[n-]1)c1cc(-c2ccc(F)cc2)nc2ccccc21	ZINC000217661538	526815204	/nfs/dbraw/zinc/81/52/04/526815204.db2.gz	URYMPURVQBQFAF-UHFFFAOYSA-N	-1	0	363.352	2.382	50	70		FEIARM
CC[C@H](O)c1cc2n(n1)CCCN(Cc1nc(=O)c3sccc3[n-]1)C2	ZINC000217069653	548680535	/nfs/dbraw/zinc/68/05/35/548680535.db2.gz	SPWVWWUPUZGRQJ-AWEZNQCLSA-N	-1	0	359.455	2.030	50	70		FEIARM
COC(=O)C[C@@H](c1cc2ccc(C)cc2[nH]c1=O)c1c([O-])cc(C)oc1=O	ZINC000218124320	548685211	/nfs/dbraw/zinc/68/52/11/548685211.db2.gz	JOVXVMCABRVTIF-ZDUSSCGKSA-N	-1	0	369.373	2.499	50	70		FEIARM
Cc1ccc(NCCCNC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)nc1	ZINC000218441850	525277185	/nfs/dbraw/zinc/27/71/85/525277185.db2.gz	FPFMKHKKCGAONM-UHFFFAOYSA-N	-1	0	351.410	2.101	50	70		FEIARM
Cn1c(CCNC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)nc2ccccc21	ZINC000217869849	206366351	/nfs/dbraw/zinc/36/63/51/206366351.db2.gz	NTOZCZOZMPPVNT-UHFFFAOYSA-N	-1	0	361.405	2.025	50	70		FEIARM
COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])cc(C)oc1=O	ZINC000218093400	523278860	/nfs/dbraw/zinc/27/88/60/523278860.db2.gz	UCRRAGMQJKQUQW-NSHDSACASA-N	-1	0	364.350	2.072	50	70		FEIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccnn1C	ZINC000218006141	548683445	/nfs/dbraw/zinc/68/34/45/548683445.db2.gz	BMDUXGFWHMVTCN-JTQLQIEISA-N	-1	0	368.345	2.184	50	70		FEIARM
CCCCc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)[nH]n1	ZINC000159962025	545996081	/nfs/dbraw/zinc/99/60/81/545996081.db2.gz	IIEJZXSTUMDKRQ-UHFFFAOYSA-N	-1	0	365.459	2.117	50	70		FEIARM
COC(=O)C[C@@H](c1cc2ccccc2n(C)c1=O)c1c([O-])cc(C)oc1=O	ZINC000218074558	548684890	/nfs/dbraw/zinc/68/48/90/548684890.db2.gz	CUGFBYAMFAZIEE-ZDUSSCGKSA-N	-1	0	369.373	2.201	50	70		FEIARM
COC(=O)C[C@H](c1cc2ccc(C)cc2[nH]c1=O)c1c([O-])cc(C)oc1=O	ZINC000218124228	548684999	/nfs/dbraw/zinc/68/49/99/548684999.db2.gz	JOVXVMCABRVTIF-CYBMUJFWSA-N	-1	0	369.373	2.499	50	70		FEIARM
COc1cc(C2(C(=O)[N-]S(=O)(=O)c3c(C)noc3C)CC2)ccc1C	ZINC000160932750	546085280	/nfs/dbraw/zinc/08/52/80/546085280.db2.gz	VCHZJNDXFHYFGG-UHFFFAOYSA-N	-1	0	364.423	2.145	50	70		FEIARM
O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)[C@H]1OCCc2ccccc21	ZINC000161298170	222555412	/nfs/dbraw/zinc/55/54/12/222555412.db2.gz	XYQJWIUMZKABPL-INIZCTEOSA-N	-1	0	367.373	2.225	50	70		FEIARM
COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1c([O-])cc(C)oc1=O	ZINC000218087750	523340325	/nfs/dbraw/zinc/34/03/25/523340325.db2.gz	TVVAZYYVFRMLMK-LLVKDONJSA-N	-1	0	362.334	2.086	50	70		FEIARM
CCc1ncsc1C(=O)[N-]S(=O)(=O)c1ccc(OC)c(C)c1C	ZINC000160910595	546084005	/nfs/dbraw/zinc/08/40/05/546084005.db2.gz	IAHAGWQKYZLLNX-UHFFFAOYSA-N	-1	0	354.453	2.450	50	70		FEIARM
C[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1cn2ccsc2n1	ZINC000218040882	548683672	/nfs/dbraw/zinc/68/36/72/548683672.db2.gz	QMPJSDTUYMMHGL-LLVKDONJSA-N	-1	0	353.407	2.366	50	70		FEIARM
COC(=O)C[C@H](c1cc2ccccc2n(C)c1=O)c1c([O-])cc(C)oc1=O	ZINC000218074641	210175170	/nfs/dbraw/zinc/17/51/70/210175170.db2.gz	CUGFBYAMFAZIEE-CYBMUJFWSA-N	-1	0	369.373	2.201	50	70		FEIARM
CC[C@@H](O)c1cc2n(n1)CCCN(Cc1nc(=O)c3sccc3[n-]1)C2	ZINC000217069624	548679725	/nfs/dbraw/zinc/67/97/25/548679725.db2.gz	SPWVWWUPUZGRQJ-CQSZACIVSA-N	-1	0	359.455	2.030	50	70		FEIARM
COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])cc(C)oc1=O	ZINC000218093338	523341239	/nfs/dbraw/zinc/34/12/39/523341239.db2.gz	UCRRAGMQJKQUQW-LLVKDONJSA-N	-1	0	364.350	2.072	50	70		FEIARM
COC(=O)C[C@@H](c1coc2ccccc2c1=O)c1c([O-])cc(C)oc1=O	ZINC000217940798	548683496	/nfs/dbraw/zinc/68/34/96/548683496.db2.gz	XIFXXDFOXZIPEE-LBPRGKRZSA-N	-1	0	356.330	2.455	50	70		FEIARM