smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCCC#CCN1CCCC1	ZINC000001689782	346464105	/nfs/dbraw/zinc/46/41/05/346464105.db2.gz	QOCRDZQDEHRKSS-UHFFFAOYSA-N	1	3	222.376	2.208	40	30		BEEBHO
CC1CCN(CC#CC[NH+]2CCC(C)CC2)CC1	ZINC000001599824	168178032	/nfs/dbraw/zinc/17/80/32/168178032.db2.gz	SNISDSGGZVGUIM-UHFFFAOYSA-N	1	3	248.414	2.454	40	30		BEEBHO
CN(C)/C=C/C(=C\C=[N+](C)C)c1ccccc1	ZINC000016163011	172350107	/nfs/dbraw/zinc/35/01/07/172350107.db2.gz	AONWOPBEPZVMKM-UHFFFAOYSA-N	1	3	229.347	2.488	40	30		BEEBHO
CCCCCNC(=N)C(=[NH2+])NCCCCC	ZINC000001673360	383921309	/nfs/dbraw/zinc/92/13/09/383921309.db2.gz	YGNNWTQYSXKWIR-UHFFFAOYSA-N	1	3	226.368	2.291	40	30		BEEBHO
C[C@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](C)C2)C1	ZINC000005742841	177096116	/nfs/dbraw/zinc/09/61/16/177096116.db2.gz	JLVLYPRQDMRODM-HOTGVXAUSA-N	1	3	248.414	2.454	40	30		BEEBHO
C[C@H]1CCCN(CC#CC[N@H+]2CCC[C@H](C)C2)C1	ZINC000005742841	177096119	/nfs/dbraw/zinc/09/61/19/177096119.db2.gz	JLVLYPRQDMRODM-HOTGVXAUSA-N	1	3	248.414	2.454	40	30		BEEBHO
C[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](C)C2)C1	ZINC000005742840	177096414	/nfs/dbraw/zinc/09/64/14/177096414.db2.gz	JLVLYPRQDMRODM-IYBDPMFKSA-N	1	3	248.414	2.454	40	30		BEEBHO
C[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@H](C)C2)C1	ZINC000005742840	177096415	/nfs/dbraw/zinc/09/64/15/177096415.db2.gz	JLVLYPRQDMRODM-IYBDPMFKSA-N	1	3	248.414	2.454	40	30		BEEBHO
C[C@@H]1CCC[N@@H+](CC#CCN2CCC[C@H](C)C2)C1	ZINC000005742840	177096416	/nfs/dbraw/zinc/09/64/16/177096416.db2.gz	JLVLYPRQDMRODM-IYBDPMFKSA-N	1	3	248.414	2.454	40	30		BEEBHO
C[C@@H]1CCC[N@H+](CC#CCN2CCC[C@H](C)C2)C1	ZINC000005742840	177096417	/nfs/dbraw/zinc/09/64/17/177096417.db2.gz	JLVLYPRQDMRODM-IYBDPMFKSA-N	1	3	248.414	2.454	40	30		BEEBHO