smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/c1c[nH]c2ccccc12)NCCCC[N@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000014096587	561736564	/nfs/dbraw/zinc/73/65/64/561736564.db2.gz	AFKRYMMWFODFAD-CSKARUKUSA-N	1	0	521.561	4.364	1	70		KIIFRO
O=C(/C=C/c1cnc2ccccc2c1)NCCCC[N@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784561	562087726	/nfs/dbraw/zinc/08/77/26/562087726.db2.gz	WIWLEFDYNDBBIF-JXMROGBWSA-N	1	0	533.572	4.431	1	70		KIIFRO
O=C(/C=C/c1ccc2ncccc2c1)NCCCC[N@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784571	562087761	/nfs/dbraw/zinc/08/77/61/562087761.db2.gz	PCVICCVMMOFTLF-UXBLZVDNSA-N	1	0	533.572	4.431	1	70		KIIFRO
CC(=O)c1cccc(C=CC(=O)NCCCC[N@@H+]2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1	ZINC000042784579	562087702	/nfs/dbraw/zinc/08/77/02/562087702.db2.gz	NUWDDLFERGKQRG-JXMROGBWSA-N	1	0	524.561	4.086	1	70		KIIFRO
O=C(/C=C/c1ccc2ccccc2n1)NCCCC[N@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784694	562087896	/nfs/dbraw/zinc/08/78/96/562087896.db2.gz	NNMGGNROJQCPDV-ZRDIBKRKSA-N	1	0	533.572	4.431	1	70		KIIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccc(COc3ccc(S(=O)(=O)F)cc3)cc2)c(Cl)c1	ZINC000043300591	562647459	/nfs/dbraw/zinc/64/74/59/562647459.db2.gz	UPOLIGTXRYISGC-UHFFFAOYSA-N	1	0	546.024	4.342	1	70		KIIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCC2CCC(COc3ccc(S(=O)(=O)F)cc3)CC2)c(Cl)c1	ZINC000043300626	562647497	/nfs/dbraw/zinc/64/74/97/562647497.db2.gz	WCYBQSFAVSHTHH-UHFFFAOYSA-N	1	0	552.072	4.448	1	70		KIIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCCc2cccc(Cl)c2S(=O)(=O)F)c(Cl)c1	ZINC000043300631	562647538	/nfs/dbraw/zinc/64/75/38/562647538.db2.gz	DLPUGSCFZXDCJS-UHFFFAOYSA-N	1	0	500.427	4.403	1	70		KIIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)cc2)c(Cl)c1	ZINC000043307539	562647516	/nfs/dbraw/zinc/64/75/16/562647516.db2.gz	JKEFGVQEUDULPU-UHFFFAOYSA-N	1	0	559.023	4.015	1	70		KIIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccccc2C(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307575	562647592	/nfs/dbraw/zinc/64/75/92/562647592.db2.gz	IAASIROUWADJRR-UHFFFAOYSA-N	1	0	559.023	4.015	1	70		KIIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307626	562647580	/nfs/dbraw/zinc/64/75/80/562647580.db2.gz	KRIHPSHIXHMOJW-UHFFFAOYSA-N	1	0	526.034	4.202	1	70		KIIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2cccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)c2)c(Cl)c1	ZINC000043307779	562647563	/nfs/dbraw/zinc/64/75/63/562647563.db2.gz	IPIDACHJKIQTMP-UHFFFAOYSA-N	1	0	559.023	4.015	1	70		KIIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2cccc(C(=O)Nc3cccc(S(=O)(=O)F)c3)c2)c(Cl)c1	ZINC000043834694	562650993	/nfs/dbraw/zinc/65/09/93/562650993.db2.gz	PVQRYUPRHPSKFJ-UHFFFAOYSA-N	1	0	559.023	4.015	1	70		KIIFRO
CC(C)[C@@H]1NC(=O)c2ccccc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O	ZINC000160937622	562849115	/nfs/dbraw/zinc/84/91/15/562849115.db2.gz	GRKWALBGUZROQR-FUQONNQVSA-N	1	0	676.899	4.486	1	70		KIIFRO
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC	ZINC000161020724	562849145	/nfs/dbraw/zinc/84/91/45/562849145.db2.gz	MYAVIZSWDHVTAO-QBOWUWCZSA-N	1	0	702.893	4.116	1	70		KIIFRO
COc1ncccc1-c1c2nc(Nc3cccc(N4CC[NH+](C)CC4)c3OC(C)C)ncc2sc1C(N)=O	ZINC000217635869	562877672	/nfs/dbraw/zinc/87/76/72/562877672.db2.gz	DRVZVFNOIVQRIO-UHFFFAOYSA-N	1	0	533.658	4.143	1	70		KIIFRO
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccn5)c4)cc32)c(C)c1C(=O)NCC[NH+]1CCCC1	ZINC000218128811	562877829	/nfs/dbraw/zinc/87/78/29/562877829.db2.gz	IBDZSVOHRPWDJU-JLPGSUDCSA-N	1	0	521.625	4.198	1	70		KIIFRO
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(C5CCOCC5)c4)cc32)c1C	ZINC000218150522	562877842	/nfs/dbraw/zinc/87/78/42/562877842.db2.gz	PVFJPKMFIOGIEC-XYGWBWBKSA-N	1	0	530.673	4.411	1	70		KIIFRO
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(c5ncccn5)CC4)cc32)c1C	ZINC000218174751	562877863	/nfs/dbraw/zinc/87/78/63/562877863.db2.gz	TXFSJTQZBXDEEH-PLRJNAJWSA-N	1	0	541.700	4.370	1	70		KIIFRO