smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CCCNC(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2)Cc1ccccc1	ZINC000004757987	552476135	/nfs/dbraw/zinc/47/61/35/552476135.db2.gz	PPAHWWUIEUYQFP-UHFFFAOYSA-N	0	1	550.519	3.550	10	0		KHAEMN
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)c21	ZINC000004758210	552476182	/nfs/dbraw/zinc/47/61/82/552476182.db2.gz	PJEJEIXUODFRHD-UHFFFAOYSA-N	0	1	506.466	3.691	10	0		KHAEMN
O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)c21	ZINC000004758867	552476385	/nfs/dbraw/zinc/47/63/85/552476385.db2.gz	KYGPZFCFDQUBQT-UHFFFAOYSA-N	0	1	518.477	3.691	10	0		KHAEMN
CC(C)N(CCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(F)cc1)Cc1ccco1	ZINC000009831442	553309510	/nfs/dbraw/zinc/30/95/10/553309510.db2.gz	VDWDELBHRMPEGI-UHFFFAOYSA-N	0	1	530.604	3.784	10	0		KHAEMN
CC(C)N(CCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2CCc1ccccc1)Cc1ccco1	ZINC000009831566	553309775	/nfs/dbraw/zinc/30/97/75/553309775.db2.gz	JZDIZGHSKQXNNQ-UHFFFAOYSA-N	0	1	526.641	3.839	10	0		KHAEMN
Oc1ccc([C@H]2NC=N[C@H]2c2ccc(O)cc2I)c(I)c1	ZINC000013475119	561714626	/nfs/dbraw/zinc/71/46/26/561714626.db2.gz	PSYOLUOXRAVXSM-GASCZTMLSA-N	0	1	506.081	3.721	10	0		KHAEMN
Cc1cc(-c2cccc(N)c2)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12	ZINC000028702775	561947302	/nfs/dbraw/zinc/94/73/02/561947302.db2.gz	YVEDOAYWZFTFMS-UHFFFAOYSA-N	0	1	503.632	3.700	10	0		KHAEMN
O=C1CCNC(=O)CCc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCN1	ZINC000034799842	562040756	/nfs/dbraw/zinc/04/07/56/562040756.db2.gz	KAVCIWPHSSAORZ-UHFFFAOYSA-N	0	1	512.198	3.821	10	0		KHAEMN
CCN1CCN(c2c(CN(CCOC)C(=O)COCc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1	ZINC000034831856	554017295	/nfs/dbraw/zinc/01/72/95/554017295.db2.gz	KQRYRHHAEIDSPM-UHFFFAOYSA-N	0	1	523.653	3.654	10	0		KHAEMN
CCN1CCN(c2cc(-c3ccccc3)nc(SCc3ccc(C(=O)N4CCN(C)CC4)cc3)n2)CC1	ZINC000036038588	554146804	/nfs/dbraw/zinc/14/68/04/554146804.db2.gz	NKMJQGYVWOMKFI-UHFFFAOYSA-N	0	1	516.715	3.965	10	0		KHAEMN
CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCN(c3nc(Nc4ccc(C(=O)N5CCNCC5)cc4)c4nccn4n3)C2)cc1	ZINC000043204092	562646979	/nfs/dbraw/zinc/64/69/79/562646979.db2.gz	OMPKPNASJNVVGE-AREMUKBSSA-N	0	1	581.725	3.610	10	0		KHAEMN
COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3cccc(/C=c4\[n-]c(=O)/c(=C/c5ccccc5)n(C)c4=O)c3)cc1)CC2	ZINC000049916432	562693467	/nfs/dbraw/zinc/69/34/67/562693467.db2.gz	RTIZZWMBGKGLFO-YWQXDYITSA-N	0	1	642.756	3.602	10	0		KHAEMN
COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cccc(/C=c4\[n-]c(=O)/c(=C/c5ccccc5)n(C)c4=O)c3)cc1)CC2	ZINC000049916432	562693466	/nfs/dbraw/zinc/69/34/66/562693466.db2.gz	RTIZZWMBGKGLFO-YWQXDYITSA-N	0	1	642.756	3.602	10	0		KHAEMN
Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=[NH2+])NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-])OC(C)(C)C2	ZINC000071788257	553638287	/nfs/dbraw/zinc/63/82/87/553638287.db2.gz	LTSOZKJGTVRGPM-QFIPXVFZSA-N	0	1	574.700	3.678	10	0		KHAEMN
CC(C)OCCCn1c2nnc(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)n2c2ccccc2c1=O	ZINC000101533661	554795326	/nfs/dbraw/zinc/79/53/26/554795326.db2.gz	FBWJFXOWFWEQEW-UHFFFAOYSA-N	0	1	594.160	3.774	10	0		KHAEMN
Cc1ccc(C)c(N2CCN(CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCCOC(C)C)CC2)c1	ZINC000101533774	554795251	/nfs/dbraw/zinc/79/52/51/554795251.db2.gz	NBCFIRSJDAUZSW-UHFFFAOYSA-N	0	1	587.769	3.737	10	0		KHAEMN
COc1cc(N)c(-c2nnn(-c3ccc(CC[N@H+]4CCc5cc(OC)c(OC)cc5C4)cc3)n2)cc1OC	ZINC000139968099	571454354	/nfs/dbraw/zinc/45/43/54/571454354.db2.gz	AXPBUYJDGMRABC-UHFFFAOYSA-N	0	1	516.602	3.547	10	0		KHAEMN
CC(=O)c1nc(-c2ccc(C[C@@H](CNC(=O)CN(C)C)NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)cn1C	ZINC000306147529	572145426	/nfs/dbraw/zinc/14/54/26/572145426.db2.gz	VHBJNUOZEQTSNN-QHCPKHFHSA-N	0	1	554.091	3.749	10	0		KHAEMN
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)CC1CCN(CCCC(F)(F)F)CC1)c1cc2c(cc1Cl)NC(=O)C2	ZINC000521836533	562905806	/nfs/dbraw/zinc/90/58/06/562905806.db2.gz	OTEIUEJPHNOGBG-ACDBMABISA-N	0	1	591.096	3.944	10	0		KHAEMN