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(c1cnccn1)N1CCc2nc(C3CC[NH+](Cc4ccccc4[O-])CC3)[n-]c(=O)c2C1	ZINC000072399017	556971312	/nfs/dbraw/zinc/97/13/12/556971312.db2.gz	DLLVSUIJZJDADB-UHFFFAOYSA-N	-1	3	446.511	1.844	40	10		IDCBHM
CN(C)CCN(C)c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)[O-])[C@H](C1)CCCO2	ZINC000067879095	569473108	/nfs/dbraw/zinc/47/31/08/569473108.db2.gz	HDLYJCIQCTWSIQ-OALUTQOASA-N	-1	3	446.592	1.886	40	10		IDCBHM
C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1)C(=O)N1CCOCC1	ZINC000408606194	555966627	/nfs/dbraw/zinc/96/66/27/555966627.db2.gz	OCFKNGWETYBNLE-CQSZACIVSA-N	-1	3	434.470	1.842	40	10		IDCBHM
O=C1[N-]C(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNCCCN1CCOCC1	ZINC000109291461	569253529	/nfs/dbraw/zinc/25/35/29/569253529.db2.gz	ABPZGHIHBMDDIS-QBFSEMIESA-N	-1	3	426.901	1.423	40	10		IDCBHM
COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)NCCN1CCOCC1	ZINC000017097459	557479008	/nfs/dbraw/zinc/47/90/08/557479008.db2.gz	WJOHURAYNHBJDI-RGEXLXHISA-N	-1	3	431.449	1.056	40	10		IDCBHM
C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1)C(=O)N1CCOCC1	ZINC000408606191	555966622	/nfs/dbraw/zinc/96/66/22/555966622.db2.gz	OCFKNGWETYBNLE-AWEZNQCLSA-N	-1	3	434.470	1.842	40	10		IDCBHM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCN(C)CC3)cc2)s1	ZINC000222828244	557391108	/nfs/dbraw/zinc/39/11/08/557391108.db2.gz	GZIQDBYTJGIONG-UHFFFAOYSA-N	-1	3	438.579	1.363	40	10		IDCBHM
Cc1cccc2c([O-])c(C=C3C(=O)N4C(S)N=N[C@H]4N(c4ccccc4)C3=O)c(=O)[nH]c12	ZINC000068590011	556848793	/nfs/dbraw/zinc/84/87/93/556848793.db2.gz	FHSOOGISHXTCPC-SDQNTSPESA-N	-1	3	447.476	1.477	40	10		IDCBHM
CCC(NN1CCN(C)CC1)=c1c(=O)n(-c2nc3ccccc3s2)[n-]c1=CC(=O)OC	ZINC000019894242	556940417	/nfs/dbraw/zinc/94/04/17/556940417.db2.gz	JFQJOQFFDIPAEY-XMHGGMMESA-N	-1	3	442.545	1.978	40	10		IDCBHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@](O)(C1(C)OCCO1)C[C@@H]3O	ZINC000005640071	556061290	/nfs/dbraw/zinc/06/12/90/556061290.db2.gz	DGYLVCLSZYZTEC-DAOPMYJZSA-N	-1	3	442.420	1.356	40	10		IDCBHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C1(C)OCCO1)C[C@@H]3O	ZINC000005640070	556061326	/nfs/dbraw/zinc/06/13/26/556061326.db2.gz	DGYLVCLSZYZTEC-MYODQAERSA-N	-1	3	442.420	1.356	40	10		IDCBHM
Cc1cccc2c([O-])c(C=C3C(=O)N4C(S)N=N[C@@H]4N(c4ccccc4)C3=O)c(=O)[nH]c12	ZINC000068590015	556848805	/nfs/dbraw/zinc/84/88/05/556848805.db2.gz	FHSOOGISHXTCPC-PLTPHKKDSA-N	-1	3	447.476	1.477	40	10		IDCBHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@](O)(C1(C)OCCO1)C[C@H]3O	ZINC000005640068	556061351	/nfs/dbraw/zinc/06/13/51/556061351.db2.gz	DGYLVCLSZYZTEC-SFDCACGMSA-N	-1	3	442.420	1.356	40	10		IDCBHM
COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)NCCCN1CCOCC1	ZINC000019643287	557504145	/nfs/dbraw/zinc/50/41/45/557504145.db2.gz	VSQMMCVWQAVRIQ-HKWRFOASSA-N	-1	3	445.476	1.446	40	10		IDCBHM
CCOc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCC(N)=O	ZINC000107974736	569260620	/nfs/dbraw/zinc/26/06/20/569260620.db2.gz	JCKUWRMRWNCSQF-SDQBBNPISA-N	-1	3	442.291	1.818	40	10		IDCBHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C1(C)OCCO1)C[C@H]3O	ZINC000005640067	556061333	/nfs/dbraw/zinc/06/13/33/556061333.db2.gz	DGYLVCLSZYZTEC-SPSFWMDKSA-N	-1	3	442.420	1.356	40	10		IDCBHM
CN(C)S(=O)(=O)N1CCc2nc(C3CC[NH+](Cc4ccccc4[O-])CC3)[n-]c(=O)c2C1	ZINC000072399037	556971321	/nfs/dbraw/zinc/97/13/21/556971321.db2.gz	AIHLRFGFJBMWLU-UHFFFAOYSA-N	-1	3	447.561	1.020	40	10		IDCBHM