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-]OCc1cccnc1)[C@H]1CCCO1	ZINC000160849782	182284238	/nfs/dbraw/zinc/28/42/38/182284238.db2.gz	PRBWVBOWUQBOQS-SNVBAGLBSA-N	-1	0	222.244	0.808	20	70		BCIDRM
NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1	ZINC000217988488	592151854	/nfs/dbraw/zinc/15/18/54/592151854.db2.gz	IYKWAIVUGORHHW-MRVPVSSYSA-N	-1	0	208.217	0.871	20	70		BCIDRM
CC[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC	ZINC000217351196	592104955	/nfs/dbraw/zinc/10/49/55/592104955.db2.gz	GILFRXIMGXRVBG-BYPYZUCNSA-N	-1	0	212.171	0.190	20	70		BCIDRM
O=C([N-]S(=O)(=O)c1ccsc1)C1CC1	ZINC000159612395	385700429	/nfs/dbraw/zinc/70/04/29/385700429.db2.gz	QGNRQOFVPZEEHW-UHFFFAOYSA-N	-1	0	231.298	0.963	20	70		BCIDRM
CC(C)CNS(=O)(=O)[N-]CC(F)(F)F	ZINC000160452400	388066656	/nfs/dbraw/zinc/06/66/56/388066656.db2.gz	SUECRADTZGSRLJ-UHFFFAOYSA-N	-1	0	234.243	0.629	20	70		BCIDRM
CCOCC(=O)[N-]OCc1cccnc1	ZINC000160846980	170345141	/nfs/dbraw/zinc/34/51/41/170345141.db2.gz	FDHLPMBRBILKHB-UHFFFAOYSA-N	-1	0	210.233	0.666	20	70		BCIDRM
O=S(=O)([N-]CC(F)(F)F)N1CCCC1	ZINC000160833956	323136473	/nfs/dbraw/zinc/13/64/73/323136473.db2.gz	PDHFZRNEMHPPLG-UHFFFAOYSA-N	-1	0	232.227	0.479	20	70		BCIDRM
CC[C@](C)(O)CNS(=O)(=O)Cc1ccon1	ZINC000160297226	384400383	/nfs/dbraw/zinc/40/03/83/384400383.db2.gz	QKZTWZHXAIIDJC-VIFPVBQESA-N	-1	0	248.304	0.255	20	70		BCIDRM
CCc1ncsc1C(=O)[N-]S(C)(=O)=O	ZINC000160018504	385997141	/nfs/dbraw/zinc/99/71/41/385997141.db2.gz	ILPADDIPVNFEAJ-UHFFFAOYSA-N	-1	0	234.302	0.395	20	70		BCIDRM
O=S(=O)([N-]CC(F)(F)F)N1CCCO1	ZINC000160459278	387029186	/nfs/dbraw/zinc/02/91/86/387029186.db2.gz	SCHWJHQPBVENNY-UHFFFAOYSA-N	-1	0	234.199	0.020	20	70		BCIDRM
CCN(CC)S(=O)(=O)[N-]CC(F)(F)F	ZINC000160450353	388067798	/nfs/dbraw/zinc/06/77/98/388067798.db2.gz	HSJYIMWZXDTMDQ-UHFFFAOYSA-N	-1	0	234.243	0.725	20	70		BCIDRM
O=c1[n-]c(CNc2nc3cc(F)ccc3o2)n[nH]1	ZINC000160434422	323066428	/nfs/dbraw/zinc/06/64/28/323066428.db2.gz	JOFXLLKAOAFEMI-UHFFFAOYSA-N	-1	0	249.205	0.990	20	70		BCIDRM
Cc1cccc(C(=O)[N-]S(C)(=O)=O)c1F	ZINC000161080090	387524919	/nfs/dbraw/zinc/52/49/19/387524919.db2.gz	FTOVKJDUQBSDRI-UHFFFAOYSA-N	-1	0	231.248	0.824	20	70		BCIDRM
CN(C)C(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000218483167	583173921	/nfs/dbraw/zinc/17/39/21/583173921.db2.gz	NPWIFEAOVXRPQX-SSDOTTSWSA-N	-1	0	200.238	0.607	20	70		BCIDRM
CC1(C(=O)[N-]S(=O)(=O)c2cccnc2)CC1	ZINC000161124775	388535748	/nfs/dbraw/zinc/53/57/48/388535748.db2.gz	NMVBDJRKJASIKT-UHFFFAOYSA-N	-1	0	240.284	0.687	20	70		BCIDRM
O=C(c1nc(=O)[nH][n-]1)N1CC[C@@H]2CCCC[C@@H]21	ZINC000160330917	323064818	/nfs/dbraw/zinc/06/48/18/323064818.db2.gz	DVSZUEMSHSGHBF-YUMQZZPRSA-N	-1	0	236.275	0.503	20	70		BCIDRM
CCCCNC(=O)CCCNC(=O)[O-]	ZINC000217575152	592135626	/nfs/dbraw/zinc/13/56/26/592135626.db2.gz	FVWSVBZHNVYUCR-UHFFFAOYSA-N	-1	0	202.254	0.951	20	70		BCIDRM
O=C([O-])NC1CCC2(CC1)OCCO2	ZINC000217984104	592151715	/nfs/dbraw/zinc/15/17/15/592151715.db2.gz	MJKHRKOPBGJXSW-UHFFFAOYSA-N	-1	0	201.222	0.940	20	70		BCIDRM
Cc1cccc(CCNC(=O)c2nc(=O)[nH][n-]2)c1	ZINC000160300254	346360395	/nfs/dbraw/zinc/36/03/95/346360395.db2.gz	FHUOESXOEDHVPL-UHFFFAOYSA-N	-1	0	246.270	0.379	20	70		BCIDRM
O=c1[n-]c(CNc2ccnc(C3CC3)n2)n[nH]1	ZINC000160433567	387087285	/nfs/dbraw/zinc/08/72/85/387087285.db2.gz	XXWLDHJUXDVXIR-UHFFFAOYSA-N	-1	0	232.247	0.378	20	70		BCIDRM
Cc1cc(NC(=O)c2nc(=O)[nH][n-]2)ccc1O	ZINC000160670393	323101741	/nfs/dbraw/zinc/10/17/41/323101741.db2.gz	UCGMBLMLBJNCOR-UHFFFAOYSA-N	-1	0	234.215	0.364	20	70		BCIDRM
CC(C)NS(=O)(=O)[N-]CC(F)(F)F	ZINC000160450509	167125955	/nfs/dbraw/zinc/12/59/55/167125955.db2.gz	MJXWYTTWCLLIBZ-UHFFFAOYSA-N	-1	0	220.216	0.381	20	70		BCIDRM
O=C([N-]OCc1cccnc1)C1=COCCO1	ZINC000160828640	182284740	/nfs/dbraw/zinc/28/47/40/182284740.db2.gz	NWBCMKTWPWSMKW-UHFFFAOYSA-N	-1	0	236.227	0.518	20	70		BCIDRM
CC[C@@H](C)NS(=O)(=O)[N-]CC(F)(F)F	ZINC000160450000	387011567	/nfs/dbraw/zinc/01/15/67/387011567.db2.gz	RHUIANXYHSHRCE-RXMQYKEDSA-N	-1	0	234.243	0.771	20	70		BCIDRM
Cc1ccnc(N2CCN(C(=O)[O-])CC2)n1	ZINC000217818686	592149507	/nfs/dbraw/zinc/14/95/07/592149507.db2.gz	FJSXEFGPUNPGGX-UHFFFAOYSA-N	-1	0	222.248	0.585	20	70		BCIDRM