smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)S(=O)(=O)N1CCC([NH+]=C([O-])N[C@H]2COC[C@H]2n2ccnn2)CC1	ZINC000329195926	1073353956	/nfs/dbraw/zinc/35/39/56/1073353956.db2.gz	SSEZXVHGQFXMJA-UONOGXRCSA-N	0	1	386.478	-0.076	10	30		GBEEMN
Cc1cnn(C[C@@H]2CN(C([O-])=[NH+]CCC(=O)N3CCN(C)CC3)CCO2)c1	ZINC000329234944	1073356715	/nfs/dbraw/zinc/35/67/15/1073356715.db2.gz	IFERCMOMLAXNIM-INIZCTEOSA-N	0	1	378.477	-0.030	10	30		GBEEMN
Cc1cnn(C[C@H]2CN(C([O-])=[NH+]CCC(=O)N3CCN(C)CC3)CCO2)c1	ZINC000329234945	1073356733	/nfs/dbraw/zinc/35/67/33/1073356733.db2.gz	IFERCMOMLAXNIM-MRXNPFEDSA-N	0	1	378.477	-0.030	10	30		GBEEMN
CN1CCN(C(=O)C2CCN(C(=O)N[C@H]3COC[C@H]3n3ccnn3)CC2)CC1	ZINC000329252243	1073357374	/nfs/dbraw/zinc/35/73/74/1073357374.db2.gz	BWCXUZUHZLTSNK-JKSUJKDBSA-N	0	1	391.476	-0.382	10	30		GBEEMN
CCc1nc2n(n1)C[C@@H](NC([O-])=[NH+]CCC(=O)N1CCN(C(C)=O)CC1)CC2	ZINC000329305167	1073358751	/nfs/dbraw/zinc/35/87/51/1073358751.db2.gz	OOVFUTWLDQKSIE-AWEZNQCLSA-N	0	1	391.476	-0.260	10	30		GBEEMN
CCc1nc2n(n1)C[C@@H](NC(=O)NCCC(=O)N1CCN(C(C)=O)CC1)CC2	ZINC000329305167	1073358745	/nfs/dbraw/zinc/35/87/45/1073358745.db2.gz	OOVFUTWLDQKSIE-AWEZNQCLSA-N	0	1	391.476	-0.260	10	30		GBEEMN
CCc1nc2n(n1)C[C@H](NC([O-])=[NH+]CCC(=O)N1CCN(C(C)=O)CC1)CC2	ZINC000329305171	1073358801	/nfs/dbraw/zinc/35/88/01/1073358801.db2.gz	OOVFUTWLDQKSIE-CQSZACIVSA-N	0	1	391.476	-0.260	10	30		GBEEMN
CCc1nc2n(n1)C[C@H](NC(=O)NCCC(=O)N1CCN(C(C)=O)CC1)CC2	ZINC000329305171	1073358794	/nfs/dbraw/zinc/35/87/94/1073358794.db2.gz	OOVFUTWLDQKSIE-CQSZACIVSA-N	0	1	391.476	-0.260	10	30		GBEEMN
CN(C[C@H]1CCCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1)S(C)(=O)=O	ZINC000329443893	1073364060	/nfs/dbraw/zinc/36/40/60/1073364060.db2.gz	KNBPZJDACWRTGA-HZSPNIEDSA-N	0	1	386.478	-0.265	10	30		GBEEMN
CN(C[C@@H]1CCCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1)S(C)(=O)=O	ZINC000329443897	1073364126	/nfs/dbraw/zinc/36/41/26/1073364126.db2.gz	KNBPZJDACWRTGA-MELADBBJSA-N	0	1	386.478	-0.265	10	30		GBEEMN
CN1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)CC1	ZINC000329456477	1072506010	/nfs/dbraw/zinc/50/60/10/1072506010.db2.gz	QCSTZMOQLVXDSL-HNNXBMFYSA-N	0	1	375.477	-0.007	10	30		GBEEMN
CN1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)CC1	ZINC000329456478	1072505816	/nfs/dbraw/zinc/50/58/16/1072505816.db2.gz	QCSTZMOQLVXDSL-OAHLLOKOSA-N	0	1	375.477	-0.007	10	30		GBEEMN
CCN(C1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1)S(C)(=O)=O	ZINC000329483507	1073365783	/nfs/dbraw/zinc/36/57/83/1073365783.db2.gz	QEHFVVABVJZJMS-UONOGXRCSA-N	0	1	386.478	-0.122	10	30		GBEEMN
CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1	ZINC000329499760	1073365915	/nfs/dbraw/zinc/36/59/15/1073365915.db2.gz	VPWBEDTZPVOMLU-UONOGXRCSA-N	0	1	386.478	-0.122	10	30		GBEEMN
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1	ZINC000329514322	1073366603	/nfs/dbraw/zinc/36/66/03/1073366603.db2.gz	YEJZSYJCIFLMNL-HRCADAONSA-N	0	1	391.476	-0.240	10	30		GBEEMN
C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1	ZINC000329514324	1073366332	/nfs/dbraw/zinc/36/63/32/1073366332.db2.gz	YEJZSYJCIFLMNL-OWCLPIDISA-N	0	1	391.476	-0.240	10	30		GBEEMN
O=C(CN1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1)N1CCCCC1	ZINC000329523840	1073367439	/nfs/dbraw/zinc/36/74/39/1073367439.db2.gz	RVMQEABUBQYTKC-JKSUJKDBSA-N	0	1	391.476	-0.238	10	30		GBEEMN
Cc1cnn(CCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1	ZINC000329577378	1072517328	/nfs/dbraw/zinc/51/73/28/1072517328.db2.gz	SSPGYPNNMDMINA-UHFFFAOYSA-N	0	1	386.478	-0.700	10	30		GBEEMN
CC(C)N1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000329615300	1073371141	/nfs/dbraw/zinc/37/11/41/1073371141.db2.gz	DDSBRRFOWMGYRV-HZPDHXFCSA-N	0	1	388.534	-0.186	10	30		GBEEMN
CC(C)N1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000329615302	1073371175	/nfs/dbraw/zinc/37/11/75/1073371175.db2.gz	DDSBRRFOWMGYRV-JKSUJKDBSA-N	0	1	388.534	-0.186	10	30		GBEEMN
CC(C)N1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)C1	ZINC000329660924	1073375421	/nfs/dbraw/zinc/37/54/21/1073375421.db2.gz	OSKLKSURVQIHGX-QZTJIDSGSA-N	0	1	383.537	-0.042	10	30		GBEEMN
CC(C)N1CCO[C@H](CN2CCN(C(=O)NC[C@H]3CN(C)CCO3)CC2)C1	ZINC000329660925	1073375102	/nfs/dbraw/zinc/37/51/02/1073375102.db2.gz	OSKLKSURVQIHGX-ZWKOTPCHSA-N	0	1	383.537	-0.042	10	30		GBEEMN