smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC1=C(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)C[C@@H]2c3ccccc3CCN2C1	ZINC000001721518	557283043	/nfs/dbraw/zinc/28/30/43/557283043.db2.gz	GAUYNTGXYGJOSH-JWQCQUIFSA-N	1	3	418.581	4.990	40	0	in-vitro	HJABHO
COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCN(C)CC4)C=C3C)[nH]c2c1	ZINC000072320960	560076950	/nfs/dbraw/zinc/07/69/50/560076950.db2.gz	AMLHSQOAJHFNAH-JTAQYXEDSA-N	1	3	424.633	4.652	40	0	biogenic,in-vitro	HJABHO
CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](CC2CCCCC2)C1	ZINC000006137728	291275642	/nfs/dbraw/zinc/27/56/42/291275642.db2.gz	FHLJTCJRKFJLFF-JTHBVZDNSA-N	1	3	419.613	4.576	40	0	biogenic,in-vitro	HJABHO
CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](CC2CCCCC2)C1	ZINC000006137728	291275645	/nfs/dbraw/zinc/27/56/45/291275645.db2.gz	FHLJTCJRKFJLFF-JTHBVZDNSA-N	1	3	419.613	4.576	40	0	biogenic,in-vitro	HJABHO
COc1ccc(CN(C)CC[C@@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC	ZINC000005358755	557646635	/nfs/dbraw/zinc/64/66/35/557646635.db2.gz	OJEZOEWJJBKOBO-YZIHRLCOSA-N	1	3	410.602	4.824	40	0		HJABHO
COc1ccc(CN(C)CC[C@@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000005358755	557646637	/nfs/dbraw/zinc/64/66/37/557646637.db2.gz	OJEZOEWJJBKOBO-YZIHRLCOSA-N	1	3	410.602	4.824	40	0		HJABHO
O=C(NCc1ccccc1CN1CCCCC1)c1ccc(C[NH+]2CCCCCC2)cc1	ZINC000224842046	568599801	/nfs/dbraw/zinc/59/98/01/568599801.db2.gz	CMQJIYJTOJXQCL-UHFFFAOYSA-N	1	3	419.613	4.979	40	0		HJABHO
c1ccc(CN2CC[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)[C@@H](c3ccccc3)C2)cc1	ZINC000012113171	569344648	/nfs/dbraw/zinc/34/46/48/569344648.db2.gz	KXBHLDGIMNJBAC-DNQXCXABSA-N	1	3	400.522	4.563	40	0		HJABHO
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(OC4CCN(C)CC4)cc3)cc2)C1	ZINC000219243203	568488476	/nfs/dbraw/zinc/48/84/76/568488476.db2.gz	MRKYGNHVHOPDDQ-HXUWFJFHSA-N	1	3	421.585	4.644	40	0		HJABHO
C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(OC4CCN(C)CC4)cc3)cc2)C1	ZINC000219243203	568488477	/nfs/dbraw/zinc/48/84/77/568488477.db2.gz	MRKYGNHVHOPDDQ-HXUWFJFHSA-N	1	3	421.585	4.644	40	0		HJABHO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(CN2CCCCC2)cc1	ZINC000038831637	558816868	/nfs/dbraw/zinc/81/68/68/558816868.db2.gz	HOFQBUMPKOVULF-UHFFFAOYSA-N	1	3	405.586	4.588	40	0		HJABHO
CC1=C[C@@H](C[NH2+]C2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1	ZINC000072320870	560077891	/nfs/dbraw/zinc/07/78/91/560077891.db2.gz	KSAYIMPPBMVPRB-IPJJNNNSSA-N	1	3	412.597	4.783	40	0	biogenic,in-vitro	HJABHO
CC1(C)C[C@@]2(CCCN(CCC[N@@H+]3CCC[C@@]4(CCOC(C)(C)C4)C3)C2)CCO1	ZINC000005008161	560620844	/nfs/dbraw/zinc/62/08/44/560620844.db2.gz	SWVWVYHFWXGIGF-PLQXJYEYSA-N	1	3	406.655	4.719	40	0		HJABHO
CC1(C)C[C@@]2(CCCN(CCC[N@H+]3CCC[C@@]4(CCOC(C)(C)C4)C3)C2)CCO1	ZINC000005008161	560620845	/nfs/dbraw/zinc/62/08/45/560620845.db2.gz	SWVWVYHFWXGIGF-PLQXJYEYSA-N	1	3	406.655	4.719	40	0		HJABHO
CC1(C)C[C@@]2(CCC[N@@H+](CCCN3CCC[C@@]4(CCOC(C)(C)C4)C3)C2)CCO1	ZINC000005008161	560620847	/nfs/dbraw/zinc/62/08/47/560620847.db2.gz	SWVWVYHFWXGIGF-PLQXJYEYSA-N	1	3	406.655	4.719	40	0		HJABHO
CC1(C)C[C@@]2(CCC[N@H+](CCCN3CCC[C@@]4(CCOC(C)(C)C4)C3)C2)CCO1	ZINC000005008161	560620848	/nfs/dbraw/zinc/62/08/48/560620848.db2.gz	SWVWVYHFWXGIGF-PLQXJYEYSA-N	1	3	406.655	4.719	40	0		HJABHO
CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(CCCCc2ccc(Cl)cc2Cl)c1	ZINC000017039547	558812366	/nfs/dbraw/zinc/81/23/66/558812366.db2.gz	DIFWGKOQCVSWQH-UHFFFAOYSA-N	1	3	418.372	4.744	40	0		HJABHO
c1ccc(CN2CC[C@H]([NH2+]Cc3ccc4c(c3)OCO4)[C@H](c3ccccc3)C2)cc1	ZINC000072341586	558940021	/nfs/dbraw/zinc/94/00/21/558940021.db2.gz	KXBHLDGIMNJBAC-ZEQRLZLVSA-N	1	3	400.522	4.563	40	0		HJABHO
COc1ccc(CN(C)CC[C@@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000012296217	560778845	/nfs/dbraw/zinc/77/88/45/560778845.db2.gz	OJEZOEWJJBKOBO-LZCXECNNSA-N	1	3	410.602	4.824	40	0		HJABHO
COc1ccc(CN(C)CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC	ZINC000012296217	560778846	/nfs/dbraw/zinc/77/88/46/560778846.db2.gz	OJEZOEWJJBKOBO-LZCXECNNSA-N	1	3	410.602	4.824	40	0		HJABHO
CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(OC4CCN(C)CC4)cc3)cc2)CC1	ZINC000219237432	568488327	/nfs/dbraw/zinc/48/83/27/568488327.db2.gz	ADNHQKONWYGFBK-UHFFFAOYSA-N	1	3	421.585	4.644	40	0		HJABHO
Cc1ccc(CN2CCC(C(=O)NCc3ccccc3C[NH+]3CCCCC3)CC2)cc1	ZINC000224839433	568599594	/nfs/dbraw/zinc/59/95/94/568599594.db2.gz	CWQQQFQJBHQHRK-UHFFFAOYSA-N	1	3	419.613	4.509	40	0		HJABHO
CCC1=C(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)C[C@H]2c3ccccc3CCN2C1	ZINC000003954406	557503766	/nfs/dbraw/zinc/50/37/66/557503766.db2.gz	GAUYNTGXYGJOSH-RPBOFIJWSA-N	1	3	418.581	4.990	40	0	in-vitro	HJABHO
CN1CCC(Oc2ccc(NC(=O)c3ccc(C[NH+]4CCCCCC4)cc3)cc2)CC1	ZINC000219965612	568500466	/nfs/dbraw/zinc/50/04/66/568500466.db2.gz	FIAMEYJNLOVTAL-UHFFFAOYSA-N	1	3	421.585	4.788	40	0		HJABHO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(CCCCc2ccc(Cl)cc2Cl)cc1	ZINC000017039536	558812370	/nfs/dbraw/zinc/81/23/70/558812370.db2.gz	PDKJFRHBGYGOHD-UHFFFAOYSA-N	1	3	418.372	4.744	40	0		HJABHO
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(OC4CCN(C)CC4)cc3)cc2)C1	ZINC000219243278	568488537	/nfs/dbraw/zinc/48/85/37/568488537.db2.gz	MRKYGNHVHOPDDQ-FQEVSTJZSA-N	1	3	421.585	4.644	40	0		HJABHO
C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(OC4CCN(C)CC4)cc3)cc2)C1	ZINC000219243278	568488538	/nfs/dbraw/zinc/48/85/38/568488538.db2.gz	MRKYGNHVHOPDDQ-FQEVSTJZSA-N	1	3	421.585	4.644	40	0		HJABHO
Cc1ccc(CN2CCC(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1	ZINC000038831239	558816787	/nfs/dbraw/zinc/81/67/87/558816787.db2.gz	XDHIFYSRNPUFSH-UHFFFAOYSA-N	1	3	419.613	4.509	40	0		HJABHO
Cc1cc(-c2cnc(C(C)(C)C)nc2C2CCN(Cc3ccc(C[NH3+])cc3)CC2)on1	ZINC000072353527	559176742	/nfs/dbraw/zinc/17/67/42/559176742.db2.gz	JQFLDGBCVPATQE-UHFFFAOYSA-N	1	3	419.573	4.576	40	0		HJABHO
CC1(C)CC(N(Cc2cccn2-c2ccncc2)Cc2ccccn2)CC(C)(C)[NH2+]1	ZINC000036740507	558801859	/nfs/dbraw/zinc/80/18/59/558801859.db2.gz	ZLOISVZIXVGMLE-UHFFFAOYSA-N	1	3	403.574	4.579	40	0		HJABHO
CC1(C)C[C@@]2(CCCN(CCC[N@@H+]3CCC[C@]4(CCOC(C)(C)C4)C3)C2)CCO1	ZINC000005008160	560620775	/nfs/dbraw/zinc/62/07/75/560620775.db2.gz	SWVWVYHFWXGIGF-JWQCQUIFSA-N	1	3	406.655	4.719	40	0		HJABHO
CC1(C)C[C@@]2(CCCN(CCC[N@H+]3CCC[C@]4(CCOC(C)(C)C4)C3)C2)CCO1	ZINC000005008160	560620777	/nfs/dbraw/zinc/62/07/77/560620777.db2.gz	SWVWVYHFWXGIGF-JWQCQUIFSA-N	1	3	406.655	4.719	40	0		HJABHO
Cc1ccc(CN2CCC(C(=O)NCc3cccc(C[NH+]4CCCCC4)c3)CC2)cc1	ZINC000038831248	558816673	/nfs/dbraw/zinc/81/66/73/558816673.db2.gz	HIRZEUYVSFGJRD-UHFFFAOYSA-N	1	3	419.613	4.509	40	0		HJABHO
COc1ccc(CN(C)CC[C@@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC	ZINC000005355795	557646708	/nfs/dbraw/zinc/64/67/08/557646708.db2.gz	OJEZOEWJJBKOBO-IPVFLDMMSA-N	1	3	410.602	4.824	40	0		HJABHO
COc1ccc(CN(C)CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000005355795	557646711	/nfs/dbraw/zinc/64/67/11/557646711.db2.gz	OJEZOEWJJBKOBO-IPVFLDMMSA-N	1	3	410.602	4.824	40	0		HJABHO
CC1(C)C[C@]2(CCCN(CCC[N@@H+]3CCC[C@@]4(CCOC(C)(C)C4)C3)C2)CCO1	ZINC000013424566	560811252	/nfs/dbraw/zinc/81/12/52/560811252.db2.gz	SWVWVYHFWXGIGF-DQEYMECFSA-N	1	3	406.655	4.719	40	0		HJABHO
CC1(C)C[C@]2(CCCN(CCC[N@H+]3CCC[C@@]4(CCOC(C)(C)C4)C3)C2)CCO1	ZINC000013424566	560811253	/nfs/dbraw/zinc/81/12/53/560811253.db2.gz	SWVWVYHFWXGIGF-DQEYMECFSA-N	1	3	406.655	4.719	40	0		HJABHO
c1ccc(CN2CC[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)[C@H](c3ccccc3)C2)cc1	ZINC000012113170	558326810	/nfs/dbraw/zinc/32/68/10/558326810.db2.gz	KXBHLDGIMNJBAC-BJKOFHAPSA-N	1	3	400.522	4.563	40	0		HJABHO
c1ccc(CN2CC[C@H]([NH2+]Cc3ccc4c(c3)OCO4)[C@@H](c3ccccc3)C2)cc1	ZINC000253588631	569318033	/nfs/dbraw/zinc/31/80/33/569318033.db2.gz	KXBHLDGIMNJBAC-RPWUZVMVSA-N	1	3	400.522	4.563	40	0		HJABHO