smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)[C@@H](C)C1	ZINC000604417991	568276049	/nfs/dbraw/zinc/27/60/49/568276049.db2.gz	BAWJANUUTXKLLF-GBXCKJPGSA-N	2	1	366.549	4.580	20	0		FJADMP
C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2OCC2CC2)CC1	ZINC000604770018	568362916	/nfs/dbraw/zinc/36/29/16/568362916.db2.gz	SBKHLUZQYDPBPM-IBGZPJMESA-N	2	1	364.533	4.791	20	0		FJADMP
C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccs2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000605165707	568594048	/nfs/dbraw/zinc/59/40/48/568594048.db2.gz	RCUGFBYEODUPDX-MAUKXSAKSA-N	2	1	368.468	4.940	20	0		FJADMP
C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccs2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000605165707	568594050	/nfs/dbraw/zinc/59/40/50/568594050.db2.gz	RCUGFBYEODUPDX-MAUKXSAKSA-N	2	1	368.468	4.940	20	0		FJADMP
CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2csc(Br)c2)c1	ZINC000065976516	568064036	/nfs/dbraw/zinc/06/40/36/568064036.db2.gz	YXVKUMSQZXRRAW-UHFFFAOYSA-N	2	1	367.356	4.641	20	0		FJADMP
CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC1	ZINC000521429501	568028378	/nfs/dbraw/zinc/02/83/78/568028378.db2.gz	XBOINZMMDZEWOI-LJQANCHMSA-N	2	1	373.585	4.581	20	0		FJADMP
CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)[C@H](C)C1	ZINC000604417992	568275957	/nfs/dbraw/zinc/27/59/57/568275957.db2.gz	BAWJANUUTXKLLF-HYBUGGRVSA-N	2	1	366.549	4.580	20	0		FJADMP
CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)c1	ZINC000604416115	568281281	/nfs/dbraw/zinc/28/12/81/568281281.db2.gz	DTHHTOWMVJMUOZ-UHFFFAOYSA-N	2	1	370.443	4.966	20	0		FJADMP
C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000522756758	568049651	/nfs/dbraw/zinc/04/96/51/568049651.db2.gz	FLJVRHNCOHZDCP-UYAOXDASSA-N	2	1	362.439	4.878	20	0		FJADMP
C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000522756758	568049652	/nfs/dbraw/zinc/04/96/52/568049652.db2.gz	FLJVRHNCOHZDCP-UYAOXDASSA-N	2	1	362.439	4.878	20	0		FJADMP
C[N@@H+]1CCC[C@H](C[NH2+]C2CCSCC2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000522756811	568050094	/nfs/dbraw/zinc/05/00/94/568050094.db2.gz	IKZJITXDYKJGER-CRAIPNDOSA-N	2	1	372.500	4.574	20	0		FJADMP
C[N@H+]1CCC[C@H](C[NH2+]C2CCSCC2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000522756811	568050095	/nfs/dbraw/zinc/05/00/95/568050095.db2.gz	IKZJITXDYKJGER-CRAIPNDOSA-N	2	1	372.500	4.574	20	0		FJADMP
C[N@@H+]1CCC[C@@H](C[NH2+]C2CCSCC2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000522756812	568050108	/nfs/dbraw/zinc/05/01/08/568050108.db2.gz	IKZJITXDYKJGER-MAUKXSAKSA-N	2	1	372.500	4.574	20	0		FJADMP
C[N@H+]1CCC[C@@H](C[NH2+]C2CCSCC2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000522756812	568050109	/nfs/dbraw/zinc/05/01/09/568050109.db2.gz	IKZJITXDYKJGER-MAUKXSAKSA-N	2	1	372.500	4.574	20	0		FJADMP
CCCOc1cccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1	ZINC000604770429	568362941	/nfs/dbraw/zinc/36/29/41/568362941.db2.gz	VBQGTXSPRKMZMS-LJQANCHMSA-N	2	1	352.522	4.791	20	0		FJADMP
CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1	ZINC000604769677	568362847	/nfs/dbraw/zinc/36/28/47/568362847.db2.gz	HOKOSKYNGSDYTD-IBGZPJMESA-N	2	1	352.522	4.791	20	0		FJADMP
CCCOc1cccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1	ZINC000604770427	568362969	/nfs/dbraw/zinc/36/29/69/568362969.db2.gz	VBQGTXSPRKMZMS-IBGZPJMESA-N	2	1	352.522	4.791	20	0		FJADMP
CC(C)(C)[NH+]1CCC(Nc2cc[nH+]c3cc(Br)ccc23)CC1	ZINC000604756998	568365161	/nfs/dbraw/zinc/36/51/61/568365161.db2.gz	ROVLHCQLHISRJM-UHFFFAOYSA-N	2	1	362.315	4.672	20	0		FJADMP
C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000522756755	568049638	/nfs/dbraw/zinc/04/96/38/568049638.db2.gz	FLJVRHNCOHZDCP-AZUAARDMSA-N	2	1	362.439	4.878	20	0		FJADMP
C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000522756755	568049639	/nfs/dbraw/zinc/04/96/39/568049639.db2.gz	FLJVRHNCOHZDCP-AZUAARDMSA-N	2	1	362.439	4.878	20	0		FJADMP
C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(Br)c2)CC1	ZINC000604769912	568362788	/nfs/dbraw/zinc/36/27/88/568362788.db2.gz	LEUDTTUHXHXZNH-MRXNPFEDSA-N	2	1	373.338	4.764	20	0		FJADMP
C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(Br)c2)CC1	ZINC000604769911	568362804	/nfs/dbraw/zinc/36/28/04/568362804.db2.gz	LEUDTTUHXHXZNH-INIZCTEOSA-N	2	1	373.338	4.764	20	0		FJADMP
C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000522756757	568049697	/nfs/dbraw/zinc/04/96/97/568049697.db2.gz	FLJVRHNCOHZDCP-QUCCMNQESA-N	2	1	362.439	4.878	20	0		FJADMP
C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000522756757	568049698	/nfs/dbraw/zinc/04/96/98/568049698.db2.gz	FLJVRHNCOHZDCP-QUCCMNQESA-N	2	1	362.439	4.878	20	0		FJADMP
C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccsc2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000605165798	568594061	/nfs/dbraw/zinc/59/40/61/568594061.db2.gz	WYPKDIFPYDEJMM-SJLPKXTDSA-N	2	1	368.468	4.940	20	0		FJADMP
C[N@H+]1CCC[C@H](C[NH2+]Cc2ccsc2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000605165798	568594063	/nfs/dbraw/zinc/59/40/63/568594063.db2.gz	WYPKDIFPYDEJMM-SJLPKXTDSA-N	2	1	368.468	4.940	20	0		FJADMP
c1coc(C2=CCC[NH+](CCCC[N@H+]3CCC=C(c4ccco4)C3)C2)c1	ZINC000569149978	370687908	/nfs/dbraw/zinc/68/79/08/370687908.db2.gz	BAZNTBOGYDTESK-UHFFFAOYSA-N	2	1	352.478	4.531	20	0		FJADMP
CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1	ZINC000521429491	568028245	/nfs/dbraw/zinc/02/82/45/568028245.db2.gz	XBOINZMMDZEWOI-IBGZPJMESA-N	2	1	373.585	4.581	20	0		FJADMP
CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccccc3)c2)[C@H](C)C1	ZINC000604417994	568276116	/nfs/dbraw/zinc/27/61/16/568276116.db2.gz	BAWJANUUTXKLLF-YKSBVNFPSA-N	2	1	366.549	4.580	20	0		FJADMP
CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1	ZINC000604769678	568362815	/nfs/dbraw/zinc/36/28/15/568362815.db2.gz	HOKOSKYNGSDYTD-LJQANCHMSA-N	2	1	352.522	4.791	20	0		FJADMP
C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2OCC2CC2)CC1	ZINC000604770019	568362906	/nfs/dbraw/zinc/36/29/06/568362906.db2.gz	SBKHLUZQYDPBPM-LJQANCHMSA-N	2	1	364.533	4.791	20	0		FJADMP
C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccsc2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000605165797	568594128	/nfs/dbraw/zinc/59/41/28/568594128.db2.gz	WYPKDIFPYDEJMM-FUHWJXTLSA-N	2	1	368.468	4.940	20	0		FJADMP
C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccsc2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000605165797	568594131	/nfs/dbraw/zinc/59/41/31/568594131.db2.gz	WYPKDIFPYDEJMM-FUHWJXTLSA-N	2	1	368.468	4.940	20	0		FJADMP
CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccccc3)c2)[C@@H](C)C1	ZINC000604417993	568276087	/nfs/dbraw/zinc/27/60/87/568276087.db2.gz	BAWJANUUTXKLLF-RDPSFJRHSA-N	2	1	366.549	4.580	20	0		FJADMP
C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000522756756	568049633	/nfs/dbraw/zinc/04/96/33/568049633.db2.gz	FLJVRHNCOHZDCP-ICSRJNTNSA-N	2	1	362.439	4.878	20	0		FJADMP
C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000522756756	568049634	/nfs/dbraw/zinc/04/96/34/568049634.db2.gz	FLJVRHNCOHZDCP-ICSRJNTNSA-N	2	1	362.439	4.878	20	0		FJADMP
C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccs2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000605165706	568594072	/nfs/dbraw/zinc/59/40/72/568594072.db2.gz	RCUGFBYEODUPDX-CRAIPNDOSA-N	2	1	368.468	4.940	20	0		FJADMP
C[N@H+]1CCC[C@H](C[NH2+]Cc2cccs2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000605165706	568594075	/nfs/dbraw/zinc/59/40/75/568594075.db2.gz	RCUGFBYEODUPDX-CRAIPNDOSA-N	2	1	368.468	4.940	20	0		FJADMP