smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)Nc1nc(Nc2cc(Cl)ccc2O)cc(C2CC2)[nH+]1	ZINC000328955128	529113688	/nfs/dbraw/zinc/11/36/88/529113688.db2.gz	AADYYMILVPQYRZ-UHFFFAOYSA-N	1	2	318.808	3.121	40	10		DGCBLO
Oc1cc2c(cc1[C@@H](c1ccc(F)cc1)n1cc[nH+]c1)OCO2	ZINC000005479094	181247959	/nfs/dbraw/zinc/24/79/59/181247959.db2.gz	WOTHQAYNAPHLDM-QGZVFWFLSA-N	1	2	312.300	3.094	40	10	in-vivo	DGCBLO
CC(Nc1[nH+]cccc1C)=C1C(C)=NN(c2ccccc2)C1=O	ZINC000112107681	431249848	/nfs/dbraw/zinc/24/98/48/431249848.db2.gz	ZETVNERDKSIKFH-SSZFMOIBSA-N	1	2	306.369	3.499	40	10		DGCBLO
Oc1cc2c(cc1[C@H](c1ccc(F)cc1)n1cc[nH+]c1)OCO2	ZINC000005606226	181262945	/nfs/dbraw/zinc/26/29/45/181262945.db2.gz	WOTHQAYNAPHLDM-KRWDZBQOSA-N	1	2	312.300	3.094	40	10	in-vivo	DGCBLO
S=C(NCc1ccc(N2CCCC2)cc1)Nc1cc[nH+]cc1	ZINC000223951476	432679292	/nfs/dbraw/zinc/67/92/92/432679292.db2.gz	AOXHHDIGKGQQCK-UHFFFAOYSA-N	1	2	312.442	3.168	40	10		DGCBLO
CC1=NN(c2cccc(C)c2)C(=O)C1=C[NH2+]N(C)c1ccccc1	ZINC000408526314	434587247	/nfs/dbraw/zinc/58/72/47/434587247.db2.gz	BRVHEQCFBTYMKC-AQTBWJFISA-N	1	2	320.396	3.242	40	10		DGCBLO
CC(Nc1cccc(C)[nH+]1)=C1C(C)=NN(c2ccccc2)C1=O	ZINC000112107687	431249323	/nfs/dbraw/zinc/24/93/23/431249323.db2.gz	YZFAHXIFRWUYSP-LGMDPLHJSA-N	1	2	306.369	3.499	40	10		DGCBLO
CC[NH+](CC)Cc1c(O)ccc2c3c(c(=O)oc21)CCCC3	ZINC000001704289	284735400	/nfs/dbraw/zinc/73/54/00/284735400.db2.gz	PHFCUYPTGFEHGU-UHFFFAOYSA-N	1	2	301.386	3.219	40	10		DGCBLO
O=[N+]1C2=C(CCCC2)NN[C@H]1c1cc(Cl)cc(Cl)c1O	ZINC000005640804	431312784	/nfs/dbraw/zinc/31/27/84/431312784.db2.gz	HSHNMKXTNQPZDQ-CYBMUJFWSA-N	1	2	314.172	3.182	40	10		DGCBLO
COc1ccc([N@H+](C)CCCNC(=O)c2cccc(F)c2)cc1	ZINC000224959805	432685472	/nfs/dbraw/zinc/68/54/72/432685472.db2.gz	SRVJGCFAKSCPQG-UHFFFAOYSA-N	1	2	316.376	3.091	40	10		DGCBLO
COc1ccc([N@@H+](C)CCCNC(=O)c2cccc(F)c2)cc1	ZINC000224959805	432685478	/nfs/dbraw/zinc/68/54/78/432685478.db2.gz	SRVJGCFAKSCPQG-UHFFFAOYSA-N	1	2	316.376	3.091	40	10		DGCBLO
COc1cc2[nH+]c(-c3ccc(N(C)C)cc3)n(C)c2cc1OC	ZINC000000297244	180751110	/nfs/dbraw/zinc/75/11/10/180751110.db2.gz	SCJDZABSWVFWGF-UHFFFAOYSA-N	1	2	311.385	3.324	40	10		DGCBLO
O=[N+]1C2=C(CCCC2)NN[C@@H]1c1cc(Cl)cc(Cl)c1O	ZINC000017110367	431616625	/nfs/dbraw/zinc/61/66/25/431616625.db2.gz	HSHNMKXTNQPZDQ-ZDUSSCGKSA-N	1	2	314.172	3.182	40	10		DGCBLO