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+](CCNC(=O)[C@H]([NH3+])CC(N)=O)CC2)cc1	ZINC000269746848	379402414	/nfs/dbraw/zinc/40/24/14/379402414.db2.gz	YIRDSZFTJBAGIX-OAHLLOKOSA-N	2	2	349.435	-0.864	20	10		EBCDLP
COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)CO)CC2)cc1	ZINC000843064234	584071001	/nfs/dbraw/zinc/07/10/01/584071001.db2.gz	XHZKJNFMCVVQRC-HZPDHXFCSA-N	2	2	339.436	-0.879	20	10		EBCDLP
COc1ccc(N2CC[NH+](CCNC(=O)C3(O)C[NH2+]C3)CC2)cc1	ZINC000852872749	584218160	/nfs/dbraw/zinc/21/81/60/584218160.db2.gz	LQCHMNHGXCPJCQ-UHFFFAOYSA-N	2	2	334.420	-0.732	20	10		EBCDLP
COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C(CO)CO)CC2)cc1	ZINC000843060363	584070727	/nfs/dbraw/zinc/07/07/27/584070727.db2.gz	VKSLHMQWTBRLOB-INIZCTEOSA-N	2	2	339.436	-0.879	20	10		EBCDLP
COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]([NH3+])CC(N)=O)CC2)cc1	ZINC000269746847	379402288	/nfs/dbraw/zinc/40/22/88/379402288.db2.gz	YIRDSZFTJBAGIX-HNNXBMFYSA-N	2	2	349.435	-0.864	20	10		EBCDLP
COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C(CO)CO)CC2)cc1	ZINC000843060364	584070815	/nfs/dbraw/zinc/07/08/15/584070815.db2.gz	VKSLHMQWTBRLOB-MRXNPFEDSA-N	2	2	339.436	-0.879	20	10		EBCDLP
[NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1O	ZINC001206490431	836651695	/nfs/dbraw/zinc/65/16/95/836651695.db2.gz	CAKOFEWIRFZZBN-GOEBONIOSA-N	2	2	339.461	-0.327	20	10		EBCDLP
[NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@H]1O	ZINC001206490431	836651700	/nfs/dbraw/zinc/65/17/00/836651700.db2.gz	CAKOFEWIRFZZBN-GOEBONIOSA-N	2	2	339.461	-0.327	20	10		EBCDLP
COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3COCC[NH2+]3)CC2)cc1	ZINC000269288988	379358426	/nfs/dbraw/zinc/35/84/26/379358426.db2.gz	JWLDQQYTBXORCD-QGZVFWFLSA-N	2	2	348.447	-0.078	20	10		EBCDLP
COc1ccc(N2CCN(C(=O)C[N@H+](C)C[C@H](O)C[NH3+])CC2)cc1	ZINC000844225905	584091671	/nfs/dbraw/zinc/09/16/71/584091671.db2.gz	XVMHGFBSFOGICK-OAHLLOKOSA-N	2	2	336.436	-0.405	20	10		EBCDLP
COc1ccc(N2CCN(C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])CC2)cc1	ZINC000844225905	584091674	/nfs/dbraw/zinc/09/16/74/584091674.db2.gz	XVMHGFBSFOGICK-OAHLLOKOSA-N	2	2	336.436	-0.405	20	10		EBCDLP
C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1CC[NH2+]CC1=O	ZINC000876507007	584517466	/nfs/dbraw/zinc/51/74/66/584517466.db2.gz	SOZLUHIZXIEBSL-SWLSCSKDSA-N	2	2	333.436	-0.311	20	10		EBCDLP
COc1ccc(N2CCN(C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])CC2)cc1	ZINC000844225903	584091763	/nfs/dbraw/zinc/09/17/63/584091763.db2.gz	XVMHGFBSFOGICK-HNNXBMFYSA-N	2	2	336.436	-0.405	20	10		EBCDLP
COc1ccc(N2CCN(C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])CC2)cc1	ZINC000844225903	584091764	/nfs/dbraw/zinc/09/17/64/584091764.db2.gz	XVMHGFBSFOGICK-HNNXBMFYSA-N	2	2	336.436	-0.405	20	10		EBCDLP
C[NH+]1CCN(c2ccc(CNC(=O)CN3CC[NH2+]CC3=O)cc2)CC1	ZINC001330983259	841306910	/nfs/dbraw/zinc/30/69/10/841306910.db2.gz	PRAGODDNYRWPFY-UHFFFAOYSA-N	2	2	345.447	-0.514	20	10		EBCDLP
COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[NH2+]CCO3)CC2)cc1	ZINC000269309372	379361594	/nfs/dbraw/zinc/36/15/94/379361594.db2.gz	VRVSNXZQWLLTQF-KRWDZBQOSA-N	2	2	348.447	-0.078	20	10		EBCDLP
C[NH+]1CCN(c2ccc(C[NH+]3CC4(C3)NC(=O)NC4=O)cc2)CC1	ZINC000897906659	582713423	/nfs/dbraw/zinc/71/34/23/582713423.db2.gz	WWTFVIFEGJQTLW-UHFFFAOYSA-N	2	2	329.404	-0.168	20	10		EBCDLP
COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3COCC[NH2+]3)CC2)cc1	ZINC000269288985	379359241	/nfs/dbraw/zinc/35/92/41/379359241.db2.gz	JWLDQQYTBXORCD-KRWDZBQOSA-N	2	2	348.447	-0.078	20	10		EBCDLP
COc1ccc([NH+]2CCC(NC(=O)C(=O)NC3C[NH2+]C3)CC2)cc1	ZINC000842185889	584060133	/nfs/dbraw/zinc/06/01/33/584060133.db2.gz	ANBCXVNKOSLXJP-UHFFFAOYSA-N	2	2	332.404	-0.132	20	10		EBCDLP
COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)cc1	ZINC000269286213	379358315	/nfs/dbraw/zinc/35/83/15/379358315.db2.gz	IPGKRWSEEKJMEA-NVXWUHKLSA-N	2	2	348.447	-0.344	20	10		EBCDLP
Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCN2CC[NH2+]C[C@@H]2C1	ZINC001234975260	812455739	/nfs/dbraw/zinc/45/57/39/812455739.db2.gz	AETSTFNDWBVVLR-QGZVFWFLSA-N	3	2	331.464	-0.109	20	10		EBCDLP
Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCN2CC[NH2+]C[C@@H]2C1	ZINC001234975260	812455745	/nfs/dbraw/zinc/45/57/45/812455745.db2.gz	AETSTFNDWBVVLR-QGZVFWFLSA-N	3	2	331.464	-0.109	20	10		EBCDLP
[NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H]1O	ZINC001206534752	836654885	/nfs/dbraw/zinc/65/48/85/836654885.db2.gz	CAKOFEWIRFZZBN-HOCLYGCPSA-N	2	2	339.461	-0.327	20	10		EBCDLP
[NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C[C@@H]1O	ZINC001206534752	836654887	/nfs/dbraw/zinc/65/48/87/836654887.db2.gz	CAKOFEWIRFZZBN-HOCLYGCPSA-N	2	2	339.461	-0.327	20	10		EBCDLP
CN(C)c1ccc(CNC(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1	ZINC000844217744	584091392	/nfs/dbraw/zinc/09/13/92/584091392.db2.gz	MCHPICARMKRVFM-UHFFFAOYSA-N	2	2	347.463	-0.268	20	10		EBCDLP
CN(C)c1ccc(CNC(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1	ZINC000844217744	584091393	/nfs/dbraw/zinc/09/13/93/584091393.db2.gz	MCHPICARMKRVFM-UHFFFAOYSA-N	2	2	347.463	-0.268	20	10		EBCDLP
C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N1CC[NH2+]CC1=O	ZINC000876507005	584517542	/nfs/dbraw/zinc/51/75/42/584517542.db2.gz	SOZLUHIZXIEBSL-DOMZBBRYSA-N	2	2	333.436	-0.311	20	10		EBCDLP
COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)cc1	ZINC000269286209	379357280	/nfs/dbraw/zinc/35/72/80/379357280.db2.gz	IPGKRWSEEKJMEA-DOTOQJQBSA-N	2	2	348.447	-0.344	20	10		EBCDLP
COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[NH2+]CCO3)CC2)cc1	ZINC000269309374	379362664	/nfs/dbraw/zinc/36/26/64/379362664.db2.gz	VRVSNXZQWLLTQF-QGZVFWFLSA-N	2	2	348.447	-0.078	20	10		EBCDLP
C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N1CC[NH2+]CC1=O	ZINC000876507006	584517521	/nfs/dbraw/zinc/51/75/21/584517521.db2.gz	SOZLUHIZXIEBSL-IUODEOHRSA-N	2	2	333.436	-0.311	20	10		EBCDLP
COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]([NH3+])CC[NH3+])CC2)cc1	ZINC001219963375	810927851	/nfs/dbraw/zinc/92/78/51/810927851.db2.gz	VTBWUTOZHWLOPS-KRWDZBQOSA-N	3	2	349.479	0.000	20	10		EBCDLP
[NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])Cc1ccc(C(=O)[O-])cc1O	ZINC001236312099	812516689	/nfs/dbraw/zinc/51/66/89/812516689.db2.gz	NOLOVXUJPKHTDN-UHFFFAOYSA-N	2	2	338.408	-0.294	20	10		EBCDLP
[NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])Cc1ccc(C(=O)[O-])cc1O	ZINC001236312099	812516694	/nfs/dbraw/zinc/51/66/94/812516694.db2.gz	NOLOVXUJPKHTDN-UHFFFAOYSA-N	2	2	338.408	-0.294	20	10		EBCDLP
C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N1CC[NH2+]CC1=O	ZINC000876507008	584517529	/nfs/dbraw/zinc/51/75/29/584517529.db2.gz	SOZLUHIZXIEBSL-WFASDCNBSA-N	2	2	333.436	-0.311	20	10		EBCDLP
COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)CO)CC2)cc1	ZINC000843064231	584070972	/nfs/dbraw/zinc/07/09/72/584070972.db2.gz	XHZKJNFMCVVQRC-HOTGVXAUSA-N	2	2	339.436	-0.879	20	10		EBCDLP
CN1C(=O)C(=CNNc2ccc(-n3cc[nH+]c3)n[nH+]2)C(=O)N(C)C1=O	ZINC000794700059	583585157	/nfs/dbraw/zinc/58/51/57/583585157.db2.gz	OUAFQURGAPFGSP-UHFFFAOYSA-N	2	2	342.319	-0.487	20	10		EBCDLP
Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCN2CC[NH2+]C[C@H]2C1	ZINC001234975255	812455865	/nfs/dbraw/zinc/45/58/65/812455865.db2.gz	AETSTFNDWBVVLR-KRWDZBQOSA-N	3	2	331.464	-0.109	20	10		EBCDLP
Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCN2CC[NH2+]C[C@H]2C1	ZINC001234975255	812455866	/nfs/dbraw/zinc/45/58/66/812455866.db2.gz	AETSTFNDWBVVLR-KRWDZBQOSA-N	3	2	331.464	-0.109	20	10		EBCDLP
COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)CO)CC2)cc1	ZINC000843064235	584070941	/nfs/dbraw/zinc/07/09/41/584070941.db2.gz	XHZKJNFMCVVQRC-JKSUJKDBSA-N	2	2	339.436	-0.879	20	10		EBCDLP
COc1ccc(N2CC[NH+](CCNC(=O)C(=O)NCC[NH3+])CC2)cc1	ZINC000842152503	584057870	/nfs/dbraw/zinc/05/78/70/584057870.db2.gz	ILBPAHUMDHNXMP-UHFFFAOYSA-N	2	2	349.435	-0.992	20	10		EBCDLP
COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)CO)CC2)cc1	ZINC000843064229	584070846	/nfs/dbraw/zinc/07/08/46/584070846.db2.gz	XHZKJNFMCVVQRC-CVEARBPZSA-N	2	2	339.436	-0.879	20	10		EBCDLP
[NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])Cc1cc(C(=O)[O-])ccc1O	ZINC001236311218	812517307	/nfs/dbraw/zinc/51/73/07/812517307.db2.gz	GAANMCTZIMQIIX-UHFFFAOYSA-N	2	2	338.408	-0.294	20	10		EBCDLP
[NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])Cc1cc(C(=O)[O-])ccc1O	ZINC001236311218	812517314	/nfs/dbraw/zinc/51/73/14/812517314.db2.gz	GAANMCTZIMQIIX-UHFFFAOYSA-N	2	2	338.408	-0.294	20	10		EBCDLP