smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](CCCSc3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)cc1	ZINC000027657221	563045350	/nfs/dbraw/zinc/04/53/50/563045350.db2.gz	WPDBZZBPSUZBDG-UHFFFAOYSA-N	1	1	444.626	3.914	1	10		IHCFMO
C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2[N@@H+](C)C1	ZINC000029486616	563081364	/nfs/dbraw/zinc/08/13/64/563081364.db2.gz	QOTRYAMHCKKTQD-BFZYAMCYSA-N	1	1	432.564	3.962	1	10		IHCFMO
COc1ccc(N2CC[NH+](CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1	ZINC000013823488	563010272	/nfs/dbraw/zinc/01/02/72/563010272.db2.gz	OUEYTZFYYVEBDH-UHFFFAOYSA-N	1	1	437.565	3.569	1	10		IHCFMO
O=S(=O)(N[C@H]1CCCC[N@H+](Cc2ccccc2O)C1)c1ccc(C(F)(F)F)cc1	ZINC000045227822	563125618	/nfs/dbraw/zinc/12/56/18/563125618.db2.gz	UBYIIRKHZXGZLP-KRWDZBQOSA-N	1	1	428.476	3.744	1	10		IHCFMO
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c(C(N)=O)cccc12	ZINC000029391614	563079026	/nfs/dbraw/zinc/07/90/26/563079026.db2.gz	IPFBLTKAVDEMNZ-UHFFFAOYSA-N	1	1	436.493	3.611	1	10		IHCFMO
CCOc1cccc(C[N@H+]2CCC[C@@H](N3CCc4cc(OC)c(OC)cc4C3)C2)c1O	ZINC000020866579	521338461	/nfs/dbraw/zinc/33/84/61/521338461.db2.gz	ARRSLQDGUDXOAX-OAQYLSRUSA-N	1	1	426.557	3.831	3	10		IHCFMO
COc1cc(-c2ccco2)ccc1S(=O)(=O)Nc1cccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)c1	ZINC000035998146	563090687	/nfs/dbraw/zinc/09/06/87/563090687.db2.gz	CKZDKCNWEMQSQN-CALCHBBNSA-N	1	1	441.553	3.943	1	10		IHCFMO
O=C(NCc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])o1	ZINC000040564655	563104698	/nfs/dbraw/zinc/10/46/98/563104698.db2.gz	WXKAAMRSRPBFPU-UHFFFAOYSA-N	1	1	434.496	3.830	1	10		IHCFMO
CN(C)c1ccc(C=C2C[N@@H+](C)CC3C2=NC(=S)N[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000059316072	563146555	/nfs/dbraw/zinc/14/65/55/563146555.db2.gz	RTMGHUMDCIUTIT-CMYVBNMBSA-N	1	1	433.625	3.621	1	10		IHCFMO
C[NH+]1CCN(C(=O)NCc2cc(Nc3ccnc4cc(Cl)ccc43)ccc2O)CC1	ZINC000029232924	563076991	/nfs/dbraw/zinc/07/69/91/563076991.db2.gz	QHSLSGPCLNVADG-UHFFFAOYSA-N	1	1	425.920	3.794	1	10		IHCFMO
COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1	ZINC000029125199	563074213	/nfs/dbraw/zinc/07/42/13/563074213.db2.gz	IWAMSIQHBWBJRV-CALCHBBNSA-N	1	1	441.553	3.943	1	10		IHCFMO
CNC(=O)c1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(NS(C)(=O)=O)cc1NC	ZINC000029468759	563080544	/nfs/dbraw/zinc/08/05/44/563080544.db2.gz	PIXNCCYYMWCTQC-UHFFFAOYSA-N	1	1	449.536	3.904	1	10		IHCFMO
CN(C)CCNc1ccc(Cl)c2c1C(=O)c1c(NCC[NH+](C)C)ccc(Cl)c1C2=O	ZINC000029406093	563079532	/nfs/dbraw/zinc/07/95/32/563079532.db2.gz	VMYJDMNGCFGRKM-UHFFFAOYSA-N	1	1	449.382	3.716	1	10		IHCFMO
CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c(C(N)=O)cccc12	ZINC000029468657	563080443	/nfs/dbraw/zinc/08/04/43/563080443.db2.gz	NBVLDIKQZBGUPD-UHFFFAOYSA-N	1	1	435.509	3.644	1	10		IHCFMO
C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2[N@@H+](C)C1	ZINC000040676431	563105919	/nfs/dbraw/zinc/10/59/19/563105919.db2.gz	QOTRYAMHCKKTQD-APODVTEOSA-N	1	1	432.564	3.962	1	10		IHCFMO
CCN(CC)CCOc1cccc2c1C(=O)c1c(OCC[NH+](CC)CC)cccc1C2=O	ZINC000027524223	563043024	/nfs/dbraw/zinc/04/30/24/563043024.db2.gz	VSLYRNHVUOTNBV-UHFFFAOYSA-N	1	1	438.568	3.903	1	10		IHCFMO
CN(C)CCNc1ccc(NCC[NH+](C)C)c2c1C(=O)c1cc(Cl)c(Cl)cc1C2=O	ZINC000031440409	563083309	/nfs/dbraw/zinc/08/33/09/563083309.db2.gz	HAEKNXAACCDGRU-UHFFFAOYSA-N	1	1	449.382	3.716	1	10		IHCFMO
COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1ccc2ccccc2c1	ZINC000034630625	563086506	/nfs/dbraw/zinc/08/65/06/563086506.db2.gz	UTBJTNQPHLLPHG-CALCHBBNSA-N	1	1	425.554	3.836	1	10		IHCFMO
CCOc1cccc(C[N@H+]2CCC[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2)c1O	ZINC000020866583	521342430	/nfs/dbraw/zinc/34/24/30/521342430.db2.gz	ARRSLQDGUDXOAX-NRFANRHFSA-N	1	1	426.557	3.831	3	10		IHCFMO
C[NH+](C)CCNC(=O)c1cccc2c(N)c3cccc(-c4ccc([N+](=O)[O-])cc4)c3nc12	ZINC000027742572	563046576	/nfs/dbraw/zinc/04/65/76/563046576.db2.gz	SKQALBCTHBUEPF-UHFFFAOYSA-N	1	1	429.480	3.837	1	10		IHCFMO
COc1ccccc1N1CC[NH+](Cc2ccc(CN3CCCC3=O)n2-c2ccccc2)CC1	ZINC000013449344	562987207	/nfs/dbraw/zinc/98/72/07/562987207.db2.gz	WNRMEBFGFQNTLL-UHFFFAOYSA-N	1	1	444.579	3.931	1	10		IHCFMO
CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3NC)c3ccccc3[nH+]c12	ZINC000029476466	563080899	/nfs/dbraw/zinc/08/08/99/563080899.db2.gz	HVOWYEOYYNNCBG-UHFFFAOYSA-N	1	1	449.536	3.904	1	10		IHCFMO
COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccoc2)cc1	ZINC000038240054	563097202	/nfs/dbraw/zinc/09/72/02/563097202.db2.gz	LMPUAAZKJNXUSY-CALCHBBNSA-N	1	1	441.553	3.943	1	10		IHCFMO
O=S(=O)(N[C@@H]1CCCC[N@H+](Cc2ccccc2O)C1)c1ccc(C(F)(F)F)cc1	ZINC000045227825	563125658	/nfs/dbraw/zinc/12/56/58/563125658.db2.gz	UBYIIRKHZXGZLP-QGZVFWFLSA-N	1	1	428.476	3.744	1	10		IHCFMO
COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2ccoc2)c1	ZINC000095598547	563192121	/nfs/dbraw/zinc/19/21/21/563192121.db2.gz	GUCWNJQLJVDBPH-CALCHBBNSA-N	1	1	441.553	3.943	1	10		IHCFMO
COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2ccco2)c1	ZINC000029124993	563074177	/nfs/dbraw/zinc/07/41/77/563074177.db2.gz	LYEHRVKYPJXJSY-CALCHBBNSA-N	1	1	441.553	3.943	1	10		IHCFMO
CN(C)CCNc1ccc(Cl)c2c1C(=O)c1c(Cl)ccc(NCC[NH+](C)C)c1C2=O	ZINC000029406099	563079546	/nfs/dbraw/zinc/07/95/46/563079546.db2.gz	VAXHXNLYZPMCOH-UHFFFAOYSA-N	1	1	449.382	3.716	1	10		IHCFMO
CN(C)CCNc1ccc(NCC[NH+](C)C)c2c1C(=O)c1c(Cl)ccc(Cl)c1C2=O	ZINC000029410873	563079828	/nfs/dbraw/zinc/07/98/28/563079828.db2.gz	MEDMSJJBYWXUQL-UHFFFAOYSA-N	1	1	449.382	3.716	1	10		IHCFMO
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2cc(C(N)=O)ccc21	ZINC000027562885	563044334	/nfs/dbraw/zinc/04/43/34/563044334.db2.gz	IGKDIAKIBLWBRK-UHFFFAOYSA-N	1	1	436.493	3.611	1	10		IHCFMO
COc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000095598611	563192264	/nfs/dbraw/zinc/19/22/64/563192264.db2.gz	SZGIMGKYZVQPQC-BETUJISGSA-N	1	1	444.384	3.989	1	10		IHCFMO
Nc1ccc(CCOCCCCCC[NH2+]CCc2ccc(O)c3[nH]c(=O)sc32)cc1	ZINC000040698625	563105952	/nfs/dbraw/zinc/10/59/52/563105952.db2.gz	DFJDVMFFBFSDKG-UHFFFAOYSA-N	1	1	429.586	3.829	1	10		IHCFMO
CN(C)c1ccc(C=C2C[N@@H+](C)CC3C2=NC(=S)N[C@H]3c2ccc(N(C)C)cc2)cc1	ZINC000059316070	563146541	/nfs/dbraw/zinc/14/65/41/563146541.db2.gz	RTMGHUMDCIUTIT-YHSGTQGLSA-N	1	1	433.625	3.621	1	10		IHCFMO