smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(O)c(C[NH2+]Cc2ccccc2)c1	ZINC000001644060	371692452	/nfs/dbraw/zinc/69/24/52/371692452.db2.gz	JHEKRAVDVLZZNI-UHFFFAOYSA-N	1	2	258.277	2.590	40	10		CFCBLO
O=Cc1ccc(Cn2cc[nH+]c2)n1Cc1ccccc1	ZINC000078404651	177338458	/nfs/dbraw/zinc/33/84/58/177338458.db2.gz	AIYCJFJNKILBDF-UHFFFAOYSA-N	1	2	265.316	2.594	40	10		CFCBLO
Cc1ccc([N+](O)=NN2C(=O)c3ccccc3C2=O)cc1	ZINC000104229972	393859300	/nfs/dbraw/zinc/85/93/00/393859300.db2.gz	YILHIFXETPBRJJ-UHFFFAOYSA-N	1	2	281.271	2.800	40	10		CFCBLO
Cc1cc(N2CCCC2)nc(Nc2ccc(N)cc2)[nH+]1	ZINC000217504695	382786979	/nfs/dbraw/zinc/78/69/79/382786979.db2.gz	CMICVFZNJMVXSK-UHFFFAOYSA-N	1	2	269.352	2.711	40	10		CFCBLO
COc1ccc(N2CCN(c3ccc([NH3+])cc3C)CC2)cc1	ZINC000256049801	348305598	/nfs/dbraw/zinc/30/55/98/348305598.db2.gz	BLZKUWKKFUZEMU-UHFFFAOYSA-N	1	2	297.402	2.912	40	10		CFCBLO
Oc1ccc(Cc2[nH+]ccc3cc(O)c(O)cc32)cc1O	ZINC000022910125	372248441	/nfs/dbraw/zinc/24/84/41/372248441.db2.gz	MXQKCNCLQIHHJA-UHFFFAOYSA-N	1	2	283.283	2.648	40	10	in-man	CFCBLO
C[NH2+]Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc21	ZINC000001588008	371684453	/nfs/dbraw/zinc/68/44/53/371684453.db2.gz	MUJOHBILDJQHEF-UHFFFAOYSA-N	1	2	281.311	2.885	40	10		CFCBLO
Nc1ccc(Nc2cc(N3CCCCC3)nc[nH+]2)cc1	ZINC000217512755	382786704	/nfs/dbraw/zinc/78/67/04/382786704.db2.gz	ZRTWSGANTPNKBD-UHFFFAOYSA-N	1	2	269.352	2.793	40	10		CFCBLO
COC(=O)c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C	ZINC000223714604	382806849	/nfs/dbraw/zinc/80/68/49/382806849.db2.gz	UBSQWYNQLQXEOK-UHFFFAOYSA-N	1	2	272.348	2.947	40	10		CFCBLO
CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](c2ccc(N)cc2)C1	ZINC000089223663	374889280	/nfs/dbraw/zinc/88/92/80/374889280.db2.gz	IOROWRBFSNXDSS-GFCCVEGCSA-N	1	2	291.395	2.620	40	10		CFCBLO
CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](c2ccc(N)cc2)C1	ZINC000089223663	374889285	/nfs/dbraw/zinc/88/92/85/374889285.db2.gz	IOROWRBFSNXDSS-GFCCVEGCSA-N	1	2	291.395	2.620	40	10		CFCBLO
O=[N+]([O-])c1ccc(O)c(C[n+]2ccc3ccccc3c2)c1	ZINC000033500116	372496805	/nfs/dbraw/zinc/49/68/05/372496805.db2.gz	IUZCNOBRIPRICP-UHFFFAOYSA-O	1	2	281.291	2.789	40	10		CFCBLO
[NH3+]c1ccc(N2CCN(c3ccccc3)CC2)cc1	ZINC000008030912	283664267	/nfs/dbraw/zinc/66/42/67/283664267.db2.gz	TVBJVJRUQPPRJS-UHFFFAOYSA-N	1	2	253.349	2.595	40	10		CFCBLO
C[NH2+]Cc1cc(Br)cc(Br)c1O	ZINC000019776787	372186541	/nfs/dbraw/zinc/18/65/41/372186541.db2.gz	MHAQLRNOHVNUGL-UHFFFAOYSA-N	1	2	294.974	2.637	40	10		CFCBLO
COc1cc(C=O)cc(C[N@H+](C)C2CCCCC2)c1O	ZINC000216832393	262341010	/nfs/dbraw/zinc/34/10/10/262341010.db2.gz	DRODVPZCWRVIMI-UHFFFAOYSA-N	1	2	277.364	2.978	40	10		CFCBLO
COc1cc(C=O)cc(C[N@@H+](C)C2CCCCC2)c1O	ZINC000216832393	262341012	/nfs/dbraw/zinc/34/10/12/262341012.db2.gz	DRODVPZCWRVIMI-UHFFFAOYSA-N	1	2	277.364	2.978	40	10		CFCBLO
C[NH2+]/C=C(\OCc1ccccc1)c1ccc(O)c(O)c1	ZINC000001593517	371684803	/nfs/dbraw/zinc/68/48/03/371684803.db2.gz	UOWCXJSQSYQWSP-YBEGLDIGSA-N	1	2	271.316	2.832	40	10		CFCBLO
COc1cc(C=O)cc(C[NH+]2CCCCCC2)c1O	ZINC000216831461	393756117	/nfs/dbraw/zinc/75/61/17/393756117.db2.gz	ALKXPWIUGMRZHP-UHFFFAOYSA-N	1	2	263.337	2.589	40	10		CFCBLO
Cc1cc(N2CCCC2)nc(Cc2ccc(N)cc2)[nH+]1	ZINC000226104472	393770808	/nfs/dbraw/zinc/77/08/08/393770808.db2.gz	PPZWAZDLZBUGRT-UHFFFAOYSA-N	1	2	268.364	2.558	40	10		CFCBLO
C[NH2+]/C=C(/OCc1ccccc1)c1ccc(O)c(O)c1	ZINC000008655885	170344399	/nfs/dbraw/zinc/34/43/99/170344399.db2.gz	UOWCXJSQSYQWSP-MHWRWJLKSA-N	1	2	271.316	2.832	40	10		CFCBLO
CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](c2ccc(N)cc2)C1	ZINC000089223657	374889067	/nfs/dbraw/zinc/88/90/67/374889067.db2.gz	IOROWRBFSNXDSS-LBPRGKRZSA-N	1	2	291.395	2.620	40	10		CFCBLO
CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](c2ccc(N)cc2)C1	ZINC000089223657	374889079	/nfs/dbraw/zinc/88/90/79/374889079.db2.gz	IOROWRBFSNXDSS-LBPRGKRZSA-N	1	2	291.395	2.620	40	10		CFCBLO