smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc2c(c1)cccc2C[NH+]1CCC([NH+]2CCCCCC2)CC1	ZINC000004703436	181139662	/nfs/dbraw/zinc/13/96/62/181139662.db2.gz	IRIARZJHHKYNOG-UHFFFAOYSA-N	2	1	322.496	4.680	50	0		DJAAMP
C[NH+](C)CCCCCCCC[N@@H+](C)Cc1cc2ccccc2o1	ZINC000002326078	563926209	/nfs/dbraw/zinc/92/62/09/563926209.db2.gz	XRPWIASLAHETCM-UHFFFAOYSA-N	2	1	316.489	4.767	50	0		DJAAMP
CC1=CC[C@H](C[N@@H+](CCC[NH+](C)C)C[C@@H]2CC=C(C)CC2)CC1	ZINC000004023175	181063638	/nfs/dbraw/zinc/06/36/38/181063638.db2.gz	FPDWDQUBDAOXGY-OYRHEFFESA-N	2	1	318.549	4.733	50	0	biogenic	DJAAMP
CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000019144231	182106100	/nfs/dbraw/zinc/10/61/00/182106100.db2.gz	WHTVZRBIWZFKQO-AWEZNQCLSA-N	2	1	319.880	4.811	50	0	biogenic,fda	DJAAMP
CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	ZINC000019144226	182106141	/nfs/dbraw/zinc/10/61/41/182106141.db2.gz	WHTVZRBIWZFKQO-CQSZACIVSA-N	2	1	319.880	4.811	50	0	fda	DJAAMP
CCc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000075568135	563884772	/nfs/dbraw/zinc/88/47/72/563884772.db2.gz	QLPCTHZGQRNNKE-SFHVURJKSA-N	2	1	322.496	4.564	50	0		DJAAMP
CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000075568131	563884662	/nfs/dbraw/zinc/88/46/62/563884662.db2.gz	QLPCTHZGQRNNKE-GOSISDBHSA-N	2	1	322.496	4.564	50	0		DJAAMP
CC1CC[NH+](C2CC[NH+](Cc3cccc4ccccc43)CC2)CC1	ZINC000004703486	181139894	/nfs/dbraw/zinc/13/98/94/181139894.db2.gz	IGXVIYXFJCAFAK-UHFFFAOYSA-N	2	1	322.496	4.536	50	0		DJAAMP
Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1cccc2ccccc21	ZINC000089735670	563911009	/nfs/dbraw/zinc/91/10/09/563911009.db2.gz	WVSKYXRVENMGQG-NRFANRHFSA-N	2	1	319.452	4.572	50	0		DJAAMP
Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1cccc2ccccc21	ZINC000089735670	563911010	/nfs/dbraw/zinc/91/10/10/563911010.db2.gz	WVSKYXRVENMGQG-NRFANRHFSA-N	2	1	319.452	4.572	50	0		DJAAMP
CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1	ZINC000004553808	181123549	/nfs/dbraw/zinc/12/35/49/181123549.db2.gz	NXXMIBBWTUIWRO-GHTZIAJQSA-N	2	1	314.517	4.552	50	0		DJAAMP
CC[NH+](CC)CCCCC[N@@H+](CC)Cc1cc2ccccc2o1	ZINC000001816618	563796208	/nfs/dbraw/zinc/79/62/08/563796208.db2.gz	NBQNMPMKSDPSRU-UHFFFAOYSA-N	2	1	316.489	4.767	50	0		DJAAMP
CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1	ZINC000019868458	182158473	/nfs/dbraw/zinc/15/84/73/182158473.db2.gz	NXXMIBBWTUIWRO-NQIIRXRSSA-N	2	1	314.517	4.552	50	0		DJAAMP
CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1	ZINC000014010817	563393874	/nfs/dbraw/zinc/39/38/74/563393874.db2.gz	NXXMIBBWTUIWRO-WIYYLYMNSA-N	2	1	314.517	4.552	50	0		DJAAMP
Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21	ZINC000089735666	563911199	/nfs/dbraw/zinc/91/11/99/563911199.db2.gz	WVSKYXRVENMGQG-OAQYLSRUSA-N	2	1	319.452	4.572	50	0		DJAAMP
Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1cccc2ccccc21	ZINC000089735666	563911200	/nfs/dbraw/zinc/91/12/00/563911200.db2.gz	WVSKYXRVENMGQG-OAQYLSRUSA-N	2	1	319.452	4.572	50	0		DJAAMP
CC(C)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000010435334	563959106	/nfs/dbraw/zinc/95/91/06/563959106.db2.gz	LFUUNTKBLRLJBZ-UHFFFAOYSA-N	2	1	322.496	4.564	50	0		DJAAMP
CC[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1	ZINC000004553809	181124008	/nfs/dbraw/zinc/12/40/08/181124008.db2.gz	NXXMIBBWTUIWRO-RXVVDRJESA-N	2	1	314.517	4.552	50	0		DJAAMP