smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCC(CC[NH+](C)C)=NO	5891973	343009138	/nfs/dbraw/zinc/00/91/38/343009138.db2.gz	DSUDLWJBSOIBIK-UHFFFAOYSA-N	2	0	187.287	0.720	40	30		ACEBRP
C[C@H]1C[NH+]=C(NCC[NH3+])S1	33674003	343106355	/nfs/dbraw/zinc/10/63/55/343106355.db2.gz	YZGKHVLLANMHFI-YFKPBYRVSA-N	2	0	159.258	0.026	40	30		ACEBRP
CC(=NNC(N)=[NH2+])c1ccc(N)cc1	4707667	166053040	/nfs/dbraw/zinc/05/30/40/166053040.db2.gz	JHWLAGPOJGZHIZ-AWNIVKPZSA-N	2	0	191.238	0.476	40	30		ACEBRP
CC(=NNC(N)=[NH2+])c1cccc(N)c1	4823895	166053695	/nfs/dbraw/zinc/05/36/95/166053695.db2.gz	RPGUACDFIMVOHP-AWNIVKPZSA-N	2	0	191.238	0.476	40	30		ACEBRP
CC(=[NH2+])NCCC[NH+](C)C	2557778	166057915	/nfs/dbraw/zinc/05/79/15/166057915.db2.gz	RQOAIBMORQPIBH-UHFFFAOYSA-N	2	0	143.234	0.315	40	30		ACEBRP
C1C[S+]2CC[S+]1CC2	4353149	166108658	/nfs/dbraw/zinc/10/86/58/166108658.db2.gz	PGGPTOJSPHDALQ-UHFFFAOYSA-N	2	0	148.296	0.250	40	30		ACEBRP
CC(=O)[C@@H]([NH3+])CCCC[NH3+]	100498196	166140002	/nfs/dbraw/zinc/14/00/02/166140002.db2.gz	VOCTVOOASBGIIP-ZETCQYMHSA-N	2	0	144.218	0.514	40	30		ACEBRP
C=CCNC(=[NH2+])C(=[NH2+])NCC=C	1716271	166162691	/nfs/dbraw/zinc/16/26/91/166162691.db2.gz	VWMJLHCYMDFOLS-UHFFFAOYSA-N	2	0	166.228	0.282	40	30		ACEBRP
C=CCN1CCCC[C@H]1C[NH3+]	44557476	166174853	/nfs/dbraw/zinc/17/48/53/166174853.db2.gz	MBLHPAXIZFCLHY-VIFPVBQESA-N	2	0	154.257	0.986	40	30		ACEBRP
C=CCN1CCCC[C@@H]1C[NH3+]	44557474	166175055	/nfs/dbraw/zinc/17/50/55/166175055.db2.gz	MBLHPAXIZFCLHY-SECBINFHSA-N	2	0	154.257	0.986	40	30		ACEBRP
C=CC[NH+]1CCC(C[NH3+])CC1	44513357	166175839	/nfs/dbraw/zinc/17/58/39/166175839.db2.gz	NQYOTVGADZOQBQ-UHFFFAOYSA-N	2	0	154.257	0.843	40	30		ACEBRP
C=CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H](C2)C1	95093754	166179112	/nfs/dbraw/zinc/17/91/12/166179112.db2.gz	VQKAZTUIWVSGRI-AOOOYVTPSA-N	2	0	166.268	0.714	40	30		ACEBRP
N[NH+]=C(N)CCC[NH+]1CCCC1	2580894	169134994	/nfs/dbraw/zinc/13/49/94/169134994.db2.gz	LVLACBCYCZTHMC-UHFFFAOYSA-N	2	0	170.260	0.093	40	30		ACEBRP
NC(=[NH2+])Nc1cccc(CC[NH3+])c1	242495350	169197729	/nfs/dbraw/zinc/19/77/29/169197729.db2.gz	GCLLIFQVVUBCGJ-UHFFFAOYSA-N	2	0	178.239	0.093	40	30		ACEBRP
N#CCC[NH2+]CCCC[NH3+]	2382817	171005337	/nfs/dbraw/zinc/00/53/37/171005337.db2.gz	WLCNZYVOUPOLHO-UHFFFAOYSA-N	2	0	141.218	0.229	40	30		ACEBRP
C[S+](C)C[S+](C)C	4995514	171014682	/nfs/dbraw/zinc/01/46/82/171014682.db2.gz	FOSQUCMBCQENDB-UHFFFAOYSA-N	2	0	138.301	0.700	40	30		ACEBRP
C[S+](C)CC[N+](C)(C)C	5641552	171017150	/nfs/dbraw/zinc/01/71/50/171017150.db2.gz	RJTYIUOEANFRDS-UHFFFAOYSA-N	2	0	149.303	0.571	40	30		ACEBRP
CCCNC(=[NH2+])C(=[NH2+])NCCC	1716286	171162762	/nfs/dbraw/zinc/16/27/62/171162762.db2.gz	KVRBNJCIHZLINA-UHFFFAOYSA-N	2	0	170.260	0.730	40	30		ACEBRP
CC(C)NC(=[NH2+])C(=[NH2+])NC(C)C	1673359	342956807	/nfs/dbraw/zinc/95/68/07/342956807.db2.gz	DSZDVAMAHJFFBN-UHFFFAOYSA-N	2	0	170.260	0.727	40	30		ACEBRP
CCCCCCCNC(=[NH2+])NC(N)=[NH2+]	1706868	342960973	/nfs/dbraw/zinc/96/09/73/342960973.db2.gz	SPZSHRCACHVFJR-UHFFFAOYSA-N	2	0	199.302	0.755	40	30		ACEBRP
C[N+](C)(C)CC#CC[N+](C)(C)C	1843155	342964944	/nfs/dbraw/zinc/96/49/44/342964944.db2.gz	XXGQWJNNRVLNCL-UHFFFAOYSA-N	2	0	170.300	0.402	40	30		ACEBRP
CCNC1=[NH+]CCC[N+]1(C)C	8618388	343019077	/nfs/dbraw/zinc/01/90/77/343019077.db2.gz	AVBIHRIEIPYUCD-UHFFFAOYSA-N	2	0	156.253	0.432	40	30		ACEBRP
CN(C)C=C(C=[N+](C)C)C=[N+](C)C	80810371	343592315	/nfs/dbraw/zinc/59/23/15/343592315.db2.gz	MATCCHJZJHJDTA-UHFFFAOYSA-N	2	0	183.299	0.118	40	30		ACEBRP
C[C@@H]1C[NH+]=C(NCC[NH3+])S1	33674002	351431390	/nfs/dbraw/zinc/43/13/90/351431390.db2.gz	YZGKHVLLANMHFI-RXMQYKEDSA-N	2	0	159.258	0.026	40	30		ACEBRP
CCCNC(=[NH2+])NC(=[NH2+])NCCC	60284225	351582582	/nfs/dbraw/zinc/58/25/82/351582582.db2.gz	BDPICBCRPFYBKJ-UHFFFAOYSA-N	2	0	185.275	0.235	40	30		ACEBRP
NC(=[NH2+])Nc1ccc(CC[NH3+])cc1	220142045	351792530	/nfs/dbraw/zinc/79/25/30/351792530.db2.gz	JEFWKXUPVDYACA-UHFFFAOYSA-N	2	0	178.239	0.093	40	30		ACEBRP
CC(C)([NH3+])C#CC#CC(C)(C)[NH3+]	16322602	371622171	/nfs/dbraw/zinc/62/21/71/371622171.db2.gz	ALSREGHOCAYJFV-UHFFFAOYSA-N	2	0	164.252	0.468	40	30		ACEBRP