smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)CCCC(=O)Nc1ccc2c3c(n(CCC[NH3+])c(=O)c2c1)-c1ccccc1C3=O	ZINC000095598184	563192060	/nfs/dbraw/zinc/19/20/60/563192060.db2.gz	AYXUHLZVSCSELR-UHFFFAOYSA-N	1	0	447.491	2.844	1	10		IFCFRO
CCn1c(=O)c(=CC=c2nc3c(o2)=CC=CN3C)sc1=Cc1sc2ccccc2[n+]1C	ZINC000059046279	563146060	/nfs/dbraw/zinc/14/60/60/563146060.db2.gz	PQJWNRHPPHQUGY-VHVWWYSBSA-N	1	0	449.581	2.871	1	10		IFCFRO
COc1cc2c3c(n(CCC[NH+](C)C)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000027647929	563045143	/nfs/dbraw/zinc/04/51/43/563045143.db2.gz	UYIMRGCQWUTROS-UHFFFAOYSA-N	1	0	436.464	2.911	1	10		IFCFRO
[NH3+]CCNC(=O)c1c2ncnc3c2c(c2c1N[C@H]1CCCC[C@@H]1N2)C(=O)c1ccccc1-3	ZINC000001903238	562925299	/nfs/dbraw/zinc/92/52/99/562925299.db2.gz	CRJPMQKAXFYIBJ-GJZGRUSLSA-N	1	0	428.496	2.678	1	10		IFCFRO
COC(=O)[C@H](C[NH+](C)C)NC(=O)c1cccc2nc3ccc4c(OC)cccc4c3nc21	ZINC000027769926	563047204	/nfs/dbraw/zinc/04/72/04/563047204.db2.gz	IBMHXIHITBJPCY-IBGZPJMESA-N	1	0	432.480	2.778	1	10		IFCFRO
C[N@H+](CCCCOc1ccc(N)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000049016954	563135398	/nfs/dbraw/zinc/13/53/98/563135398.db2.gz	URKGIAVYQXNXKF-QFIPXVFZSA-N	1	0	431.487	2.817	1	10		IFCFRO
COC(=O)[C@@H](C[NH+](C)C)NC(=O)c1cccc2nc3ccc4c(OC)cccc4c3nc21	ZINC000027769919	563047179	/nfs/dbraw/zinc/04/71/79/563047179.db2.gz	IBMHXIHITBJPCY-LJQANCHMSA-N	1	0	432.480	2.778	1	10		IFCFRO
C[NH+](C)CCNC(=O)c1cccc2nc3ccc4c(NS(C)(=O)=O)cccc4c3nc21	ZINC000027857979	563047482	/nfs/dbraw/zinc/04/74/82/563047482.db2.gz	AVRWZKBTKOHVDO-UHFFFAOYSA-N	1	0	437.525	2.599	1	10		IFCFRO
O=C1NC(=O)C(c2cccc3c2ccn3CCCO)=C1c1cn2c3c1cccc3C[NH2+]CC2	ZINC000028136368	563051558	/nfs/dbraw/zinc/05/15/58/563051558.db2.gz	YJRCJVQGBKVXBL-UHFFFAOYSA-N	1	0	440.503	2.649	1	10		IFCFRO
COc1ccc(N2CC[NH+](CCCCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1	ZINC000045253269	563126827	/nfs/dbraw/zinc/12/68/27/563126827.db2.gz	MHWHIBSVOPCJKK-UHFFFAOYSA-N	1	0	442.516	2.944	1	10		IFCFRO
C[N@H+](CCCCOc1ccc(N)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000049016950	563135413	/nfs/dbraw/zinc/13/54/13/563135413.db2.gz	URKGIAVYQXNXKF-JOCHJYFZSA-N	1	0	431.487	2.817	1	10		IFCFRO
COc1ccc(CC[N@H+](C)CCCN2CCc3cc(O)c(O)cc3CC2=O)cc1OC	ZINC000029313422	563077626	/nfs/dbraw/zinc/07/76/26/563077626.db2.gz	BVTKFIOSXHEDTE-UHFFFAOYSA-N	1	0	428.529	2.607	1	10		IFCFRO
CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CC[N@@H+]2C)C(=O)/C=C/c1ccoc1	ZINC000095593119	563190622	/nfs/dbraw/zinc/19/06/22/563190622.db2.gz	XWEIVFWMWDDUCW-KVBLMNPTSA-N	1	0	426.513	2.718	1	10		IFCFRO
COc1ccc(N2CCN(C(=O)Nc3ccc(OC)c(N4CC[NH+](C)CC4)c3)CC2)cc1	ZINC000000836547	562919338	/nfs/dbraw/zinc/91/93/38/562919338.db2.gz	HCTBJYWMGCQPOS-UHFFFAOYSA-N	1	0	439.560	2.810	1	10		IFCFRO
C[NH+]1CCN(CCCn2ccc(-c3cnc4c(-c5ccccc5)cnn4c3)cc2=O)CC1	ZINC000022940042	563026872	/nfs/dbraw/zinc/02/68/72/563026872.db2.gz	RBXCUPOYMILATN-UHFFFAOYSA-N	1	0	428.540	2.863	1	10		IFCFRO
CN1c2ccccc2S/C1=c1/s/c(=C\c2cc[n+](C)cc2)n(Cc2ccccc2)c1=O	ZINC000028096972	563050518	/nfs/dbraw/zinc/05/05/18/563050518.db2.gz	BOLNVCJYPFPUFK-WJTDDFOZSA-N	1	0	444.605	2.919	1	10		IFCFRO
C[NH+]1CCN(CCCn2ccc(-c3cnc4c(-c5ccsc5)cnn4c3)cc2=O)CC1	ZINC000021290201	563025353	/nfs/dbraw/zinc/02/53/53/563025353.db2.gz	QZNBJKPMALDRGE-UHFFFAOYSA-N	1	0	434.569	2.924	1	10		IFCFRO
Cc1c(C(=O)NCCC[NH+](C)C)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000064539297	563154962	/nfs/dbraw/zinc/15/49/62/563154962.db2.gz	BGUBJDJONYYYEQ-UHFFFAOYSA-N	1	0	440.569	2.782	1	10		IFCFRO
COc1cc(Cc2cc(Cc3cc(OC)c(O)c(OC)c3)c(N)[nH+]c2N)cc(OC)c1O	ZINC000027302520	563041188	/nfs/dbraw/zinc/04/11/88/563041188.db2.gz	RESSQJOOQPQSEQ-UHFFFAOYSA-N	1	0	441.484	2.873	1	10		IFCFRO