smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](C[C@H](O)CN3CCO[C@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000923299062 1200929092 /nfs/dbraw/zinc/92/90/92/1200929092.db2.gz WZEJPSHVBQPQFJ-KPFFTGBYSA-N 2 0 378.517 0.226 20 10 GCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCO[C@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000923299064 1200929446 /nfs/dbraw/zinc/92/94/46/1200929446.db2.gz WZEJPSHVBQPQFJ-QRFRQXIXSA-N 2 0 378.517 0.226 20 10 GCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923380504 1200975673 /nfs/dbraw/zinc/97/56/73/1200975673.db2.gz XIUPFRVGXIBOAW-AZUAARDMSA-N 2 0 378.517 0.228 20 10 GCCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C3(O)CC[NH+](C)CC3)CC2)cc1 ZINC001182034196 1205854297 /nfs/dbraw/zinc/85/42/97/1205854297.db2.gz SETAILDTGSWUIK-UHFFFAOYSA-N 2 0 390.528 0.780 20 10 GCCDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807291785 1205578518 /nfs/dbraw/zinc/57/85/18/1205578518.db2.gz NXPJFLHZMIRSSA-UHFFFAOYSA-N 2 0 387.528 0.631 20 10 GCCDRP COC(=O)[C@@]1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1S(C)(=O)=O ZINC000895510796 1196099948 /nfs/dbraw/zinc/09/99/48/1196099948.db2.gz HVGTXTAKRHVMEJ-PKOBYXMFSA-N 2 0 395.525 0.504 20 10 GCCDRP CN1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+](C)CC1 ZINC000896444112 1196149170 /nfs/dbraw/zinc/14/91/70/1196149170.db2.gz FXJPYAUQZSSDLF-UHFFFAOYSA-N 2 0 388.560 0.827 20 10 GCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCO[C@@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000923299066 1200929314 /nfs/dbraw/zinc/92/93/14/1200929314.db2.gz WZEJPSHVBQPQFJ-XKGZKEIXSA-N 2 0 378.517 0.226 20 10 GCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCC([NH2+]CCO)CC3)CC2)cc1 ZINC000923412675 1200996259 /nfs/dbraw/zinc/99/62/59/1200996259.db2.gz KTOLCPKESRIVQN-HXUWFJFHSA-N 2 0 392.544 0.224 20 10 GCCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[N@H+](C)CCN3C)CC2)cc1 ZINC001185264713 1205920253 /nfs/dbraw/zinc/92/02/53/1205920253.db2.gz YRNYOCQODKSQTF-FQEVSTJZSA-N 2 0 389.544 0.569 20 10 GCCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000286093484 1184178720 /nfs/dbraw/zinc/17/87/20/1184178720.db2.gz NGWPTEWAAMSIMQ-QGZVFWFLSA-N 2 0 376.501 0.702 20 10 GCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000897496990 1197405564 /nfs/dbraw/zinc/40/55/64/1197405564.db2.gz UMFBSYAQKWDRMO-UXHICEINSA-N 2 0 399.539 0.798 20 10 GCCDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788908856 1205432966 /nfs/dbraw/zinc/43/29/66/1205432966.db2.gz BYRQCUHQGQDUAK-UHFFFAOYSA-N 2 0 389.544 0.855 20 10 GCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000897484696 1197394554 /nfs/dbraw/zinc/39/45/54/1197394554.db2.gz UNGRZRFRHYDQKF-GOSISDBHSA-N 2 0 399.539 0.655 20 10 GCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000897496989 1197405547 /nfs/dbraw/zinc/40/55/47/1197405547.db2.gz UMFBSYAQKWDRMO-PMACEKPBSA-N 2 0 399.539 0.798 20 10 GCCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923380506 1200975790 /nfs/dbraw/zinc/97/57/90/1200975790.db2.gz XIUPFRVGXIBOAW-QUCCMNQESA-N 2 0 378.517 0.228 20 10 GCCDRP Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000807103054 1205575518 /nfs/dbraw/zinc/57/55/18/1205575518.db2.gz LGHACXKWYDNBIB-UHFFFAOYSA-N 2 0 377.533 0.629 20 10 GCCDRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000807675674 1205587933 /nfs/dbraw/zinc/58/79/33/1205587933.db2.gz ZOXDHEWNNWNOGQ-MRXNPFEDSA-N 2 0 377.533 0.882 20 10 GCCDRP C[NH+](C)CCNC(=O)Cn1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000893551548 1192262191 /nfs/dbraw/zinc/26/21/91/1192262191.db2.gz VRDKFUBORPWSHK-UHFFFAOYSA-N 2 0 399.543 0.925 20 10 GCCDRP COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)CCN3CC[NH2+]CC3)CC2)cc1 ZINC000923286930 1200926873 /nfs/dbraw/zinc/92/68/73/1200926873.db2.gz RAKHBYDPJUFPDF-FQEVSTJZSA-N 2 0 391.560 0.015 20 10 GCCDRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000923350209 1200958929 /nfs/dbraw/zinc/95/89/29/1200958929.db2.gz BQZJDJAOEMOXRE-WDSOQIARSA-N 2 0 380.508 0.810 20 10 GCCDRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000807675673 1205587968 /nfs/dbraw/zinc/58/79/68/1205587968.db2.gz ZOXDHEWNNWNOGQ-INIZCTEOSA-N 2 0 377.533 0.882 20 10 GCCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000286093478 1184179366 /nfs/dbraw/zinc/17/93/66/1184179366.db2.gz NGWPTEWAAMSIMQ-KRWDZBQOSA-N 2 0 376.501 0.702 20 10 GCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000897481989 1197389837 /nfs/dbraw/zinc/38/98/37/1197389837.db2.gz YSOZTDHYDFCIHZ-AZUAARDMSA-N 2 0 399.539 0.798 20 10 GCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCO[C@@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000923299060 1200929624 /nfs/dbraw/zinc/92/96/24/1200929624.db2.gz WZEJPSHVBQPQFJ-IMFGXOCKSA-N 2 0 378.517 0.226 20 10 GCCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923380507 1200975503 /nfs/dbraw/zinc/97/55/03/1200975503.db2.gz XIUPFRVGXIBOAW-UYAOXDASSA-N 2 0 378.517 0.228 20 10 GCCDRP C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001598617394 993913669 /nfs/dbraw/zinc/91/36/69/993913669.db2.gz SIZYBQGFTHNEQQ-UHFFFAOYSA-N 2 0 389.544 0.572 20 10 GCCDRP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000891254581 1185185176 /nfs/dbraw/zinc/18/51/76/1185185176.db2.gz ZMNFULMUPSGRER-HKUYNNGSSA-N 2 0 389.544 0.882 20 10 GCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000897496991 1197405601 /nfs/dbraw/zinc/40/56/01/1197405601.db2.gz UMFBSYAQKWDRMO-VQTJNVASSA-N 2 0 399.539 0.798 20 10 GCCDRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897525490 1197483940 /nfs/dbraw/zinc/48/39/40/1197483940.db2.gz KZUOGVONOBLLEQ-QGZVFWFLSA-N 2 0 389.544 0.901 20 10 GCCDRP C[NH2+]C[C@@H]1C[C@H](F)CN1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000923350212 1200958766 /nfs/dbraw/zinc/95/87/66/1200958766.db2.gz BQZJDJAOEMOXRE-YTQUADARSA-N 2 0 380.508 0.810 20 10 GCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000897481991 1197389995 /nfs/dbraw/zinc/38/99/95/1197389995.db2.gz YSOZTDHYDFCIHZ-QUCCMNQESA-N 2 0 399.539 0.798 20 10 GCCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC[NH+]3CCC(O)CC3)cc2)CC1 ZINC000896443750 1196148653 /nfs/dbraw/zinc/14/86/53/1196148653.db2.gz BJGNGUIUOKGPIV-UHFFFAOYSA-N 2 0 375.517 0.694 20 10 GCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000897481994 1197389717 /nfs/dbraw/zinc/38/97/17/1197389717.db2.gz YSOZTDHYDFCIHZ-UYAOXDASSA-N 2 0 399.539 0.798 20 10 GCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000897481990 1197389763 /nfs/dbraw/zinc/38/97/63/1197389763.db2.gz YSOZTDHYDFCIHZ-ICSRJNTNSA-N 2 0 399.539 0.798 20 10 GCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000897484697 1197394762 /nfs/dbraw/zinc/39/47/62/1197394762.db2.gz UNGRZRFRHYDQKF-SFHVURJKSA-N 2 0 399.539 0.655 20 10 GCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000897497073 1197405424 /nfs/dbraw/zinc/40/54/24/1197405424.db2.gz UMFBSYAQKWDRMO-WOJBJXKFSA-N 2 0 399.539 0.798 20 10 GCCDRP COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)CCN3CC[NH2+]CC3)CC2)cc1 ZINC000923286931 1200927088 /nfs/dbraw/zinc/92/70/88/1200927088.db2.gz RAKHBYDPJUFPDF-HXUWFJFHSA-N 2 0 391.560 0.015 20 10 GCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000897389388 1197199045 /nfs/dbraw/zinc/19/90/45/1197199045.db2.gz JVLCNEFTVOIICP-UHFFFAOYSA-N 2 0 399.539 0.798 20 10 GCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923380505 1200975929 /nfs/dbraw/zinc/97/59/29/1200975929.db2.gz XIUPFRVGXIBOAW-ICSRJNTNSA-N 2 0 378.517 0.228 20 10 GCCDRP CNS(=O)(=O)NC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000811498465 1205652609 /nfs/dbraw/zinc/65/26/09/1205652609.db2.gz VSIFHNXDXWCGJE-UHFFFAOYSA-N 2 0 381.546 0.457 20 10 GCCDRP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000891254588 1185185367 /nfs/dbraw/zinc/18/53/67/1185185367.db2.gz ZMNFULMUPSGRER-PKOBYXMFSA-N 2 0 389.544 0.882 20 10 GCCDRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897525489 1197483188 /nfs/dbraw/zinc/48/31/88/1197483188.db2.gz KZUOGVONOBLLEQ-KRWDZBQOSA-N 2 0 389.544 0.901 20 10 GCCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3C[N@H+](C)CCN3C)CC2)cc1 ZINC001185264717 1205920320 /nfs/dbraw/zinc/92/03/20/1205920320.db2.gz YRNYOCQODKSQTF-HXUWFJFHSA-N 2 0 389.544 0.569 20 10 GCCDRP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000891254586 1185185298 /nfs/dbraw/zinc/18/52/98/1185185298.db2.gz ZMNFULMUPSGRER-MJGOQNOKSA-N 2 0 389.544 0.882 20 10 GCCDRP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[NH+](C)C)cc1 ZINC000891254583 1185185830 /nfs/dbraw/zinc/18/58/30/1185185830.db2.gz ZMNFULMUPSGRER-IEBWSBKVSA-N 2 0 389.544 0.882 20 10 GCCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCC([NH2+]CCO)CC3)CC2)cc1 ZINC000923412673 1200996685 /nfs/dbraw/zinc/99/66/85/1200996685.db2.gz KTOLCPKESRIVQN-FQEVSTJZSA-N 2 0 392.544 0.224 20 10 GCCDRP