smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc(C[NH+]2CCCC3(CCC[N@@H+](Cc4ccccc4)C3)C2)cc1	ZINC000004535513	210214504	/nfs/dbraw/zinc/21/45/04/210214504.db2.gz	BIEPIHLKBKHTQC-UHFFFAOYSA-N	2	0	334.507	4.565	50	0		EJAARP
CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)C[NH2+]CCC[NH3+]	ZINC000101173285	219118641	/nfs/dbraw/zinc/11/86/41/219118641.db2.gz	IVASDPGLHXNPTQ-ZLNRFVROSA-N	2	0	342.571	4.759	50	0		EJAARP
CC(C)(C)C1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1	ZINC000006761714	201057293	/nfs/dbraw/zinc/05/72/93/201057293.db2.gz	CRYJHBSXJQPSBQ-UHFFFAOYSA-N	2	0	328.544	4.846	50	0		EJAARP
c1ccc(C2CCC([NH+]3CCC([NH+]4CCCCC4)CC3)CC2)cc1	ZINC000001225292	563380318	/nfs/dbraw/zinc/38/03/18/563380318.db2.gz	RRYAWQLOSDUAMD-UHFFFAOYSA-N	2	0	326.528	4.663	50	0		EJAARP
Cc1c(C)c(C[NH+]2CCCCC2)c(C)c(C)c1C[NH+]1CCCCC1	ZINC000000971538	564053748	/nfs/dbraw/zinc/05/37/48/564053748.db2.gz	LQBKHIJPOXYJLS-UHFFFAOYSA-N	2	0	328.544	4.892	50	0		EJAARP
C[NH+](C)CCC[NH2+]CC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1	ZINC000006760475	564097351	/nfs/dbraw/zinc/09/73/51/564097351.db2.gz	BFPYTBPJKQOKEE-HXUWFJFHSA-N	2	0	348.893	4.542	50	0		EJAARP
Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c2ccccc2[nH+]1	ZINC000089583126	217815014	/nfs/dbraw/zinc/81/50/14/217815014.db2.gz	MPROOBHSBJVVIX-FQEVSTJZSA-N	2	0	335.451	4.775	50	0		EJAARP
C[NH+](C)CCC[NH2+]CC[C@H](Cc1ccccc1)c1ccc(Cl)cc1	ZINC000002437749	564135161	/nfs/dbraw/zinc/13/51/61/564135161.db2.gz	UKISRHLRDIOUML-HXUWFJFHSA-N	2	0	344.930	4.598	50	0		EJAARP
Cc1cc(N2CCC[C@H](c3nccn3CC3CC3)C2)nc2ccccc12	ZINC000082115160	563972386	/nfs/dbraw/zinc/97/23/86/563972386.db2.gz	SZRQXHKOQQELDF-SFHVURJKSA-N	2	0	346.478	4.534	50	0		EJAARP
CC[NH+](CC)CCC[C@H](C)Nc1cc(C)[nH+]c2cc(Cl)ccc12	ZINC000005791270	564052182	/nfs/dbraw/zinc/05/21/82/564052182.db2.gz	GYFRJEFMZQFVLO-AWEZNQCLSA-N	2	0	333.907	4.541	50	0		EJAARP
CC1=C[C@@H](C)[C@@H](C[NH2+]CC[NH2+]C[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@H](C)C1	ZINC000239433392	564088143	/nfs/dbraw/zinc/08/81/43/564088143.db2.gz	XPPZSKFTXPXUHK-MCSHHISBSA-N	2	0	332.576	4.642	50	0		EJAARP
C[C@@H](Cc1ccccc1)[NH2+]CCCCC[NH2+][C@@H](C)Cc1ccccc1	ZINC000003058790	564154807	/nfs/dbraw/zinc/15/48/07/564154807.db2.gz	VYPSZCHCIAMVOW-SFTDATJTSA-N	2	0	338.539	4.598	50	0		EJAARP
c1ccc2c[n+](CCCCCC[n+]3ccc4ccccc4c3)ccc2c1	ZINC000002156539	563996430	/nfs/dbraw/zinc/99/64/30/563996430.db2.gz	AVWREEWMESQTNI-UHFFFAOYSA-N	2	0	342.486	4.829	50	0		EJAARP
CC[NH+](CC)CCC[C@@H](C)Nc1cc(C)[nH+]c2cc(Cl)ccc12	ZINC000005791269	564052199	/nfs/dbraw/zinc/05/21/99/564052199.db2.gz	GYFRJEFMZQFVLO-CQSZACIVSA-N	2	0	333.907	4.541	50	0		EJAARP
CC1=C[C@@H](C)[C@@H](C[NH2+]CC[NH2+]C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@@H](C)C1	ZINC000239433391	564088155	/nfs/dbraw/zinc/08/81/55/564088155.db2.gz	XPPZSKFTXPXUHK-KINXCBNHSA-N	2	0	332.576	4.642	50	0		EJAARP
C[NH+](C)CCC[NH2+]CC[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1	ZINC000006760476	564097329	/nfs/dbraw/zinc/09/73/29/564097329.db2.gz	BFPYTBPJKQOKEE-FQEVSTJZSA-N	2	0	348.893	4.542	50	0		EJAARP
Cc1cc(N[C@@H](c2nccn2C)c2ccccc2F)c2ccccc2[nH+]1	ZINC000089583086	564092939	/nfs/dbraw/zinc/09/29/39/564092939.db2.gz	BJAFXRHYFZXHBC-HXUWFJFHSA-N	2	0	346.409	4.617	50	0		EJAARP
Cc1cccc[n+]1CCCCCCCCCC[n+]1ccccc1C	ZINC000001665658	209777583	/nfs/dbraw/zinc/77/75/83/209777583.db2.gz	HQQKWRPQQKVXRB-UHFFFAOYSA-N	2	0	326.528	4.699	50	0		EJAARP
CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]CCC[NH3+])CCC[C@]21C	ZINC000044124495	564129244	/nfs/dbraw/zinc/12/92/44/564129244.db2.gz	IVASDPGLHXNPTQ-XPWALMASSA-N	2	0	342.571	4.759	50	0		EJAARP
Cc1cc[n+](CCCCCCCCC[n+]2ccc(C)c(C)c2)cc1C	ZINC000071405350	564175023	/nfs/dbraw/zinc/17/50/23/564175023.db2.gz	SLXQIWYVFIXPSJ-UHFFFAOYSA-N	2	0	340.555	4.926	50	0		EJAARP
CC[NH+](CC)CCNc1cc(-c2ccc(OC)cc2)[nH+]c2ccccc12	ZINC000004542559	210218196	/nfs/dbraw/zinc/21/81/96/210218196.db2.gz	SUHKIYZMMUMPFG-UHFFFAOYSA-N	2	0	349.478	4.664	50	0		EJAARP
C[NH+](C)CCC[NH2+]CC[C@@H](Cc1ccccc1)c1ccc(Cl)cc1	ZINC000002437748	209850729	/nfs/dbraw/zinc/85/07/29/209850729.db2.gz	UKISRHLRDIOUML-FQEVSTJZSA-N	2	0	344.930	4.598	50	0		EJAARP
CC1=C[C@@H](C)[C@@H](C[NH2+]CC[NH2+]C[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)[C@@H](C)C1	ZINC000239433393	564088158	/nfs/dbraw/zinc/08/81/58/564088158.db2.gz	XPPZSKFTXPXUHK-RXGLGVBBSA-N	2	0	332.576	4.642	50	0		EJAARP
C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(C(C)(C)C)cc2c1CCC2(C)C	ZINC000002126657	564118506	/nfs/dbraw/zinc/11/85/06/564118506.db2.gz	PZEUCIVVVWVHAI-MRXNPFEDSA-N	2	0	330.560	4.810	50	0	biogenic	EJAARP
C[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)C1	ZINC000001166993	563376969	/nfs/dbraw/zinc/37/69/69/563376969.db2.gz	RKMFYLNHYCBZIB-JSRJAPPDSA-N	2	0	340.555	4.909	50	0		EJAARP
C[C@H]1CCC[N@@H+](C2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)C1	ZINC000001166992	563376979	/nfs/dbraw/zinc/37/69/79/563376979.db2.gz	RKMFYLNHYCBZIB-KPQWGBOZSA-N	2	0	340.555	4.909	50	0		EJAARP
CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]CCC[NH3+])CCC[C@@]21C	ZINC000044124503	563926135	/nfs/dbraw/zinc/92/61/35/563926135.db2.gz	IVASDPGLHXNPTQ-VJBWXMMDSA-N	2	0	342.571	4.759	50	0		EJAARP
C[C@H]([NH2+]CCC[NH+](C)C)c1cc(C(C)(C)C)cc2c1CCC2(C)C	ZINC000002126655	564125016	/nfs/dbraw/zinc/12/50/16/564125016.db2.gz	PZEUCIVVVWVHAI-INIZCTEOSA-N	2	0	330.560	4.810	50	0	biogenic	EJAARP
Cc1ccc[n+](CCCCCCCCCC[n+]2cccc(C)c2)c1	ZINC000001665659	563400710	/nfs/dbraw/zinc/40/07/10/563400710.db2.gz	FWOBPYUZXYLINY-UHFFFAOYSA-N	2	0	326.528	4.699	50	0		EJAARP
Cc1cc[n+](CCCC[n+]2ccc(C)c3ccccc32)c2ccccc12	ZINC000003121710	563472790	/nfs/dbraw/zinc/47/27/90/563472790.db2.gz	YYKRLCNZFGMJAG-UHFFFAOYSA-N	2	0	342.486	4.665	50	0		EJAARP
c1ccc2c(c1)cccc2C[NH2+]Cc1ccccc1C[NH+]1CCCC1	ZINC000071928185	563805070	/nfs/dbraw/zinc/80/50/70/563805070.db2.gz	XFBSOXUYMOOPOA-UHFFFAOYSA-N	2	0	330.475	4.725	50	0		EJAARP
Cc1cc(N2CCC[C@@H](c3nccn3CC3CC3)C2)nc2ccccc12	ZINC000082115162	563972369	/nfs/dbraw/zinc/97/23/69/563972369.db2.gz	SZRQXHKOQQELDF-GOSISDBHSA-N	2	0	346.478	4.534	50	0		EJAARP
CC1=C[C@@H](C)[C@@H](C[NH2+]CC[NH2+]C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@H](C)C1	ZINC000102673978	219221283	/nfs/dbraw/zinc/22/12/83/219221283.db2.gz	XPPZSKFTXPXUHK-DPJYLNSSSA-N	2	0	332.576	4.642	50	0		EJAARP
Cc1cc[n+](CCCCCCCCCC[n+]2ccc(C)cc2)cc1	ZINC000001665660	564076043	/nfs/dbraw/zinc/07/60/43/564076043.db2.gz	UZAWHSOBTFJVNG-UHFFFAOYSA-N	2	0	326.528	4.699	50	0		EJAARP
CCC[NH+]1CCC([NH2+]CCC(c2ccccc2)c2ccccc2)CC1	ZINC000004612609	210232741	/nfs/dbraw/zinc/23/27/41/210232741.db2.gz	BFROMXVPJLPZJN-UHFFFAOYSA-N	2	0	336.523	4.673	50	0		EJAARP
C[C@H](Cc1ccccc1)[NH2+]CCCCC[NH2+][C@@H](C)Cc1ccccc1	ZINC000003058793	564154778	/nfs/dbraw/zinc/15/47/78/564154778.db2.gz	VYPSZCHCIAMVOW-OYRHEFFESA-N	2	0	338.539	4.598	50	0		EJAARP
C[C@H](Cc1ccccc1)[NH2+]CCCCC[NH2+][C@H](C)Cc1ccccc1	ZINC000003058797	564154791	/nfs/dbraw/zinc/15/47/91/564154791.db2.gz	VYPSZCHCIAMVOW-NHCUHLMSSA-N	2	0	338.539	4.598	50	0		EJAARP
CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C[NH2+]CCC[NH3+])CCC[C@]21C	ZINC000101173290	563982941	/nfs/dbraw/zinc/98/29/41/563982941.db2.gz	IVASDPGLHXNPTQ-DNVJHFABSA-N	2	0	342.571	4.759	50	0		EJAARP
Cc1cc(N[C@H](c2nccn2C)c2ccccc2F)c2ccccc2[nH+]1	ZINC000089583081	564092974	/nfs/dbraw/zinc/09/29/74/564092974.db2.gz	BJAFXRHYFZXHBC-FQEVSTJZSA-N	2	0	346.409	4.617	50	0		EJAARP