smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C2=CC(C)(C)[NH2+]C(C)(C)C2)sc1C1=CC(C)(C)[NH2+]C(C)(C)C1	ZINC000000754178	203947591	/nfs/dbraw/zinc/94/75/91/203947591.db2.gz	FJNPYXZRGYCHAG-UHFFFAOYSA-N	2	0	372.622	5.924	50	0		FKAARP
Clc1ccc2c(c1)C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1S2	ZINC000002193142	204029092	/nfs/dbraw/zinc/02/90/92/204029092.db2.gz	AUABFJWMUPUBNY-IBGZPJMESA-N	2	0	372.965	5.164	50	0		FKAARP
Clc1ccc2c(c1)C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1S2	ZINC000002193143	570516560	/nfs/dbraw/zinc/51/65/60/570516560.db2.gz	AUABFJWMUPUBNY-LJQANCHMSA-N	2	0	372.965	5.164	50	0		FKAARP
CC(C)(C)[PH+](CCCCC[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C	ZINC000002539877	204043399	/nfs/dbraw/zinc/04/33/99/204043399.db2.gz	LZOGYLUPNPTZLL-UHFFFAOYSA-N	2	0	360.547	8.315	50	0		FKAARP
Cc1ccc2ccccc2[n+]1CCCCCC[n+]1c(C)ccc2ccccc21	ZINC000003121711	204080093	/nfs/dbraw/zinc/08/00/93/204080093.db2.gz	PMGBWZKZICVEKT-UHFFFAOYSA-N	2	0	370.540	5.445	50	0		FKAARP
C[C@@H](Cc1ccccc1)[NH2+]CCCCCCC[NH2+][C@@H](C)Cc1ccccc1	ZINC000004697263	571062650	/nfs/dbraw/zinc/06/26/50/571062650.db2.gz	LOLIBHMZYDZYHF-GOTSBHOMSA-N	2	0	366.593	5.379	50	0		FKAARP
C[C@H](Cc1ccccc1)[NH2+]CCCCCCC[NH2+][C@@H](C)Cc1ccccc1	ZINC000004697264	571062755	/nfs/dbraw/zinc/06/27/55/571062755.db2.gz	LOLIBHMZYDZYHF-ZRZAMGCNSA-N	2	0	366.593	5.379	50	0		FKAARP
C[C@H](Cc1ccccc1)[NH2+]CCCCCCC[NH2+][C@H](C)Cc1ccccc1	ZINC000004697266	571062701	/nfs/dbraw/zinc/06/27/01/571062701.db2.gz	LOLIBHMZYDZYHF-DHIUTWEWSA-N	2	0	366.593	5.379	50	0		FKAARP
C[N@H+](Cc1ccccc1)C1CC[NH+](C2CCC(c3ccccc3)CC2)CC1	ZINC000004745613	204160540	/nfs/dbraw/zinc/16/05/40/204160540.db2.gz	SCFDDRIDDNIBEB-UHFFFAOYSA-N	2	0	362.561	5.309	50	0		FKAARP
c1ccc(CC[N@H+](Cc2ccccc2)C2CC[NH+](C3CCCC3)CC2)cc1	ZINC000004745637	570604420	/nfs/dbraw/zinc/60/44/20/570604420.db2.gz	GYEARUVEOORDAZ-UHFFFAOYSA-N	2	0	362.561	5.138	50	0		FKAARP
CC1(C)C=C(c2ccc(C3=CC(C)(C)[NH2+]C(C)(C)C3)s2)CC(C)(C)[NH2+]1	ZINC000005171171	570628076	/nfs/dbraw/zinc/62/80/76/570628076.db2.gz	PEBCGJLSRSQUJI-UHFFFAOYSA-N	2	0	358.595	5.616	50	0		FKAARP
[NH3+]CCCCCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000006344069	570645934	/nfs/dbraw/zinc/64/59/34/570645934.db2.gz	JUCAVZCEBDOYJO-UHFFFAOYSA-N	2	0	358.529	5.087	50	0		FKAARP
CCCCCC[NH2+]CCN(CCCCCC)CC[NH2+]CCCCCC	ZINC000022587459	570946861	/nfs/dbraw/zinc/94/68/61/570946861.db2.gz	QHVDQQBHZSMNAX-UHFFFAOYSA-N	2	0	355.655	5.209	50	0		FKAARP
Cc1ccc2c(c1)c(C)cc[n+]2CCCC[n+]1ccc(C)c2cc(C)ccc21	ZINC000048520785	571308682	/nfs/dbraw/zinc/30/86/82/571308682.db2.gz	HERRJQLQPDPADR-UHFFFAOYSA-N	2	0	370.540	5.282	50	0		FKAARP
Cc1cc[n+](CCCCCC[n+]2ccc(C)c3ccccc32)c2ccccc12	ZINC000048564569	571309029	/nfs/dbraw/zinc/30/90/29/571309029.db2.gz	WRXPJHPFNGIIHE-UHFFFAOYSA-N	2	0	370.540	5.445	50	0		FKAARP
CC(C)[C@@H]1CC[C@@H](C(C)C)[PH+]1CC[PH+]1[C@H](C(C)C)CC[C@H]1C(C)C	ZINC000071769532	221373755	/nfs/dbraw/zinc/37/37/55/221373755.db2.gz	IRVIFEWWPYKALC-CMOCDZPBSA-N	2	0	370.542	7.636	50	0		FKAARP
CC(C)[C@H]1CC[C@H](C(C)C)[PH+]1CC[PH+]1[C@@H](C(C)C)CC[C@@H]1C(C)C	ZINC000071769533	571166301	/nfs/dbraw/zinc/16/63/01/571166301.db2.gz	IRVIFEWWPYKALC-GXRSIYKFSA-N	2	0	370.542	7.636	50	0		FKAARP
CC(C)(C)[PH+](CC[NH2+]CC[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C	ZINC000086014448	571234296	/nfs/dbraw/zinc/23/42/96/571234296.db2.gz	MJYKYLNPIGDVEF-UHFFFAOYSA-N	3	0	361.535	6.734	50	0		FKAARP
Cc1cc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2ccccc2[nH+]1	ZINC000089583088	571212694	/nfs/dbraw/zinc/21/26/94/571212694.db2.gz	QYEVTMLGKYPYOM-UHFFFAOYSA-N	2	0	365.908	5.273	50	0		FKAARP
CCCC[NH+](CCCC)CCC[NH2+]Cc1cn(CCC)c2ccccc12	ZINC000247970260	571316899	/nfs/dbraw/zinc/31/68/99/571316899.db2.gz	CZGVVRJFEZHGDD-UHFFFAOYSA-N	2	0	357.586	5.433	50	0		FKAARP
CCCC[NH+](CCCC)CCC[NH2+]Cc1cn(C(C)C)c2ccccc12	ZINC000247990708	571317061	/nfs/dbraw/zinc/31/70/61/571317061.db2.gz	KHIIBMOXTLKLDR-UHFFFAOYSA-N	2	0	357.586	5.604	50	0		FKAARP
Fc1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(C[NH+]3CCCC3)cs2)cc1	ZINC000670468970	571359362	/nfs/dbraw/zinc/35/93/62/571359362.db2.gz	YNKIQCUKOBVQTA-NRFANRHFSA-N	2	0	358.526	5.210	50	0		FKAARP
Fc1ccc([C@H]2CCCC[N@@H+]2Cc2cc(C[NH+]3CCCC3)cs2)cc1	ZINC000670468971	571359393	/nfs/dbraw/zinc/35/93/93/571359393.db2.gz	YNKIQCUKOBVQTA-OAQYLSRUSA-N	2	0	358.526	5.210	50	0		FKAARP