smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC[N+](C)(C)C[C@@H](C)c1c(C)c(C(C)=O)n2ccccc12	ZINC000001844543	717090077	/nfs/dbraw/zinc/09/00/77/717090077.db2.gz	JWQCDPVNRXBUFB-QGZVFWFLSA-N	1	0	343.535	5.211	10	5		EKBERO
CCCCCC[N+](C)(C)C[C@H](C)c1c(C)c(C(C)=O)n2ccccc12	ZINC000001844544	717090042	/nfs/dbraw/zinc/09/00/42/717090042.db2.gz	JWQCDPVNRXBUFB-KRWDZBQOSA-N	1	0	343.535	5.211	10	5		EKBERO
C[N+](C)(C)CCCCCCCOC(c1ccccc1)c1ccccc1	ZINC000003176012	563475570	/nfs/dbraw/zinc/47/55/70/563475570.db2.gz	VVZPQRFKJBKASJ-UHFFFAOYSA-N	1	0	340.531	5.449	10	5		EKBERO
CC(C)Cc1ccc([C@H](OCCC[N+](C)(C)C)c2ccccc2)cc1	ZINC000003176023	563475658	/nfs/dbraw/zinc/47/56/58/563475658.db2.gz	QEZHSCNBLXEUHV-HSZRJFAPSA-N	1	0	340.531	5.087	10	5		EKBERO
CC(C)Cc1ccc([C@@H](OCCC[N+](C)(C)C)c2ccccc2)cc1	ZINC000003176024	209973971	/nfs/dbraw/zinc/97/39/71/209973971.db2.gz	QEZHSCNBLXEUHV-QHCPKHFHSA-N	1	0	340.531	5.087	10	5		EKBERO
C[C@H](Cc1ccccc1)[NH2+]CCc1c2ccccc2nc2ccccc21	ZINC000004172322	210138477	/nfs/dbraw/zinc/13/84/77/210138477.db2.gz	SZSWKYIWACGNDZ-GOSISDBHSA-N	1	0	340.470	5.151	10	5	in-man	EKBERO
CC(C)[n+]1c2ccc(C(C)(C)C)cc2cc2cc(C(C)(C)C)ccc21	ZINC000005481954	563534672	/nfs/dbraw/zinc/53/46/72/563534672.db2.gz	AGCDUYCYJPWILY-UHFFFAOYSA-N	1	0	334.527	6.456	10	5		EKBERO
CC[N+]1([C@@H](C)COc2ccccc2Cc2ccccc2)CCCCC1	ZINC000005599505	717100376	/nfs/dbraw/zinc/10/03/76/717100376.db2.gz	LXIZSMNYZMRUSF-FQEVSTJZSA-N	1	0	338.515	5.065	10	5		EKBERO
CC[N+]1([C@H](C)COc2ccccc2Cc2ccccc2)CCCCC1	ZINC000005599506	717100429	/nfs/dbraw/zinc/10/04/29/717100429.db2.gz	LXIZSMNYZMRUSF-HXUWFJFHSA-N	1	0	338.515	5.065	10	5		EKBERO
CCCC[N+](CCCC)(CCCC)Cc1ccc(Cl)cc1Cl	ZINC000005831507	717102715	/nfs/dbraw/zinc/10/27/15/717102715.db2.gz	SDLQGXCZOOOHJK-UHFFFAOYSA-N	1	0	345.378	6.711	10	5		EKBERO
O=C(OCC[NH+]1CCCCCC1)c1c2ccccc2cc2ccccc21	ZINC000013864173	211654287	/nfs/dbraw/zinc/65/42/87/211654287.db2.gz	MQDXNIHPOZYBGO-UHFFFAOYSA-N	1	0	347.458	5.026	10	5		EKBERO
CCN1C=CC(=Cc2cc[n+](CC)c3c2ccc2ccccc23)C=C1	ZINC000020191055	212109133	/nfs/dbraw/zinc/10/91/33/212109133.db2.gz	MDLDMJHZBRTUQR-UHFFFAOYSA-N	1	0	327.451	5.047	10	5		EKBERO
CC[N+](C)(C)CC/C=C1\c2ccccc2S[C@@H]2C=CC(Cl)=C[C@H]12	ZINC000033887765	717123406	/nfs/dbraw/zinc/12/34/06/717123406.db2.gz	UPOHKMHTCIFGRE-NBQJSFKMSA-N	1	0	346.947	5.339	10	5		EKBERO
CC(C)CCCCCCC[N+](C)(C)CCCCCCCC(C)C	ZINC000034044325	717124251	/nfs/dbraw/zinc/12/42/51/717124251.db2.gz	IWZYIPSZEBVGTM-UHFFFAOYSA-N	1	0	326.633	7.056	10	5		EKBERO
CCOC(=O)CCCCCCCCCCCCCCC[N+](C)(C)C	ZINC000034237073	717124047	/nfs/dbraw/zinc/12/40/47/717124047.db2.gz	KAKFUHOFTDMQFL-UHFFFAOYSA-N	1	0	342.588	5.717	10	5		EKBERO
CC[N+](C)(C)CC/C=C1\c2ccccc2S[C@@H]2C=CC(Cl)=C[C@@H]12	ZINC000036505270	717125642	/nfs/dbraw/zinc/12/56/42/717125642.db2.gz	UPOHKMHTCIFGRE-RMCYWSFPSA-N	1	0	346.947	5.339	10	5		EKBERO
CCCC[N+](CCCC)(CCCC)Cc1cccc(C(F)(F)F)c1	ZINC000039390692	717126742	/nfs/dbraw/zinc/12/67/42/717126742.db2.gz	AJXWHCMKZKZPIK-UHFFFAOYSA-N	1	0	344.485	6.423	10	5		EKBERO
C[N+](C)(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C1CCCC1	ZINC000073713048	717134712	/nfs/dbraw/zinc/13/47/12/717134712.db2.gz	WEEUIMNXDDUWOS-UHFFFAOYSA-N	1	0	346.498	5.058	10	5		EKBERO
CCCC[N+](CCCC)(CCCC)Cc1ccc2ccccc2c1	ZINC000090557228	717138072	/nfs/dbraw/zinc/13/80/72/717138072.db2.gz	NMAYJXVBHJXCRZ-UHFFFAOYSA-N	1	0	326.548	6.557	10	5		EKBERO
Cc1cc(Cl)ccc1Oc1ccc(C[N+](C)(C)C2CCCC2)cc1	ZINC000116394267	717150134	/nfs/dbraw/zinc/15/01/34/717150134.db2.gz	UZRQHFDMXKYXSU-UHFFFAOYSA-N	1	0	344.906	5.960	10	5		EKBERO
CCCC[N+](CCCC)(CCCC)Cc1ccc(C(F)(F)F)cc1	ZINC000168008789	717154975	/nfs/dbraw/zinc/15/49/75/717154975.db2.gz	RGUOVDYWQYVWLB-UHFFFAOYSA-N	1	0	344.485	6.423	10	5		EKBERO
CC[N+]1(CCCCOc2ccccc2-c2ccccc2)CCCCC1	ZINC000205346238	717159801	/nfs/dbraw/zinc/15/98/01/717159801.db2.gz	HOXLEVZAJGWQEA-UHFFFAOYSA-N	1	0	338.515	5.533	10	5		EKBERO
CCCC[N+](CCCC)(CCCC)Cc1cccc2ccccc21	ZINC000207542097	717160894	/nfs/dbraw/zinc/16/08/94/717160894.db2.gz	BKVBAXNGTCWHRR-UHFFFAOYSA-N	1	0	326.548	6.557	10	5		EKBERO
Cc1ccccc1O[C@H](CC[N@@+]1(C)CCCC[C@H]1C)c1ccccc1	ZINC000255986669	244059489	/nfs/dbraw/zinc/05/94/89/244059489.db2.gz	LXUSKOQJRSHNMY-AGILITTLSA-N	1	0	338.515	5.524	10	5		EKBERO
Cc1ccccc1O[C@H](CC[N@+]1(C)CCCC[C@H]1C)c1ccccc1	ZINC000255986670	244059051	/nfs/dbraw/zinc/05/90/51/244059051.db2.gz	LXUSKOQJRSHNMY-HUVFLSCGSA-N	1	0	338.515	5.524	10	5		EKBERO
Cc1ccccc1O[C@H](CC[N@@+]1(C)CCCC[C@@H]1C)c1ccccc1	ZINC000255986671	201189267	/nfs/dbraw/zinc/18/92/67/201189267.db2.gz	LXUSKOQJRSHNMY-TUACAJSNSA-N	1	0	338.515	5.524	10	5		EKBERO
Cc1ccccc1O[C@H](CC[N@+]1(C)CCCC[C@@H]1C)c1ccccc1	ZINC000255986672	244059622	/nfs/dbraw/zinc/05/96/22/244059622.db2.gz	LXUSKOQJRSHNMY-ZTCOLXNVSA-N	1	0	338.515	5.524	10	5		EKBERO
CC[N+](C)(CC)C(=O)Nc1ccccc1Sc1ccc(Cl)cc1	ZINC000604934920	717185618	/nfs/dbraw/zinc/18/56/18/717185618.db2.gz	YVQOBSLCDFIPRQ-UHFFFAOYSA-O	1	0	349.907	5.510	10	5		EKBERO