smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000001135 520610926 /nfs/dbraw/zinc/61/09/26/520610926.db2.gz DBOUGBAQLIXZLV-UHFFFAOYSA-N 1 0 346.927 5.675 50 0 in-man EKAARO Clc1ccc(-c2nc3cc(C[NH+]4CCCCC4)ccc3o2)cc1 ZINC000000068825 563214764 /nfs/dbraw/zinc/21/47/64/563214764.db2.gz DKJLSDBYIWDWRK-UHFFFAOYSA-N 1 0 326.827 5.134 50 0 EKAARO CCOc1ccc2[nH+]c(C)cc(Nc3cc(Cl)ccc3OC)c2c1 ZINC000000071839 563974383 /nfs/dbraw/zinc/97/43/83/563974383.db2.gz CHBVLPPUOLDZPX-UHFFFAOYSA-N 1 0 342.826 5.348 50 0 EKAARO CCOC(=O)c1ccc(Nc2cc(C)[nH+]c3c(C)cc(C)cc23)cc1 ZINC000000071956 563974393 /nfs/dbraw/zinc/97/43/93/563974393.db2.gz UUJQLUXNLHIGRD-UHFFFAOYSA-N 1 0 334.419 5.080 50 0 EKAARO COc1ccc([C@H](c2c(C)[nH]c3ccccc32)[NH+]2CCC(C)CC2)cc1 ZINC000000072029 205399145 /nfs/dbraw/zinc/39/91/45/205399145.db2.gz ZSUAVCMXGBZSRT-HSZRJFAPSA-N 1 0 348.490 5.306 50 0 EKAARO COc1ccc([C@@H](c2c(C)[nH]c3ccccc32)[NH+]2CCC(C)CC2)cc1 ZINC000000072030 563974403 /nfs/dbraw/zinc/97/44/03/563974403.db2.gz ZSUAVCMXGBZSRT-QHCPKHFHSA-N 1 0 348.490 5.306 50 0 EKAARO COc1ccc([C@H](c2c(C)[nH]c3ccccc32)[NH+]2CCCCC2)cc1 ZINC000000072156 563967569 /nfs/dbraw/zinc/96/75/69/563967569.db2.gz VLCZJVCINUKQMY-JOCHJYFZSA-N 1 0 334.463 5.060 50 0 EKAARO COc1ccc([C@@H](c2c(C)[nH]c3ccccc32)[NH+]2CCCCC2)cc1 ZINC000000072164 563974417 /nfs/dbraw/zinc/97/44/17/563974417.db2.gz VLCZJVCINUKQMY-QFIPXVFZSA-N 1 0 334.463 5.060 50 0 EKAARO CCOc1ccc2c(c1)Sc1ccccc1N2CC[NH+](CC)CC ZINC000000114623 135644961 /nfs/dbraw/zinc/64/49/61/135644961.db2.gz AUPBJXMPOWBAKA-UHFFFAOYSA-N 1 0 342.508 5.030 50 0 EKAARO FC(F)(F)c1cccc(Nc2c3c([nH+]c4ccccc42)CCC3)c1 ZINC000000122837 563986830 /nfs/dbraw/zinc/98/68/30/563986830.db2.gz ARHFTGVTFPUMMX-UHFFFAOYSA-N 1 0 328.337 5.486 50 0 EKAARO CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(Cl)c1 ZINC000000141416 563987104 /nfs/dbraw/zinc/98/71/04/563987104.db2.gz FGGZSADJRUWLIC-UHFFFAOYSA-N 1 0 340.810 5.117 50 0 EKAARO CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(Cl)cc1 ZINC000000141418 563987100 /nfs/dbraw/zinc/98/71/00/563987100.db2.gz YLXSLFPADVJBLX-UHFFFAOYSA-N 1 0 340.810 5.117 50 0 EKAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(Cl)c3C)c2c1 ZINC000000144071 563987191 /nfs/dbraw/zinc/98/71/91/563987191.db2.gz VJEKBTDVAGKSBY-UHFFFAOYSA-N 1 0 340.810 5.035 50 0 EKAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(Cl)cc3C)c2c1 ZINC000000144095 563987180 /nfs/dbraw/zinc/98/71/80/563987180.db2.gz LZXCIHOWTFQEEZ-UHFFFAOYSA-N 1 0 340.810 5.035 50 0 EKAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccccc3CC)c2c1 ZINC000000144316 563987160 /nfs/dbraw/zinc/98/71/60/563987160.db2.gz DMMUCVATSOOFNR-UHFFFAOYSA-N 1 0 334.419 5.026 50 0 EKAARO CC(C)[NH+](C(C)C)P(OCc1ccccc1)OCc1ccccc1 ZINC000000155860 563247826 /nfs/dbraw/zinc/24/78/26/563247826.db2.gz ANPWLBTUUNFQIO-UHFFFAOYSA-N 1 0 345.423 5.766 50 0 in-vitro EKAARO Cc1cccc2c3c(c(C)[nH+]c12)CCN3c1cccc(C(F)(F)F)c1 ZINC000000159006 563248489 /nfs/dbraw/zinc/24/84/89/563248489.db2.gz OTYSXTGJZZMGQV-UHFFFAOYSA-N 1 0 342.364 5.565 50 0 EKAARO CC[n+]1c(/C=C2/C=C(C)CC(C)(C)C2)sc2ccc(OC)cc21 ZINC000000181994 563254459 /nfs/dbraw/zinc/25/44/59/563254459.db2.gz BCVRTIZCYCYQRZ-GDNBJRDFSA-N 1 0 328.501 5.367 50 0 EKAARO Cc1cc(Nc2ccc(Br)cc2)c2cccc(C)c2[nH+]1 ZINC000000183373 563987926 /nfs/dbraw/zinc/98/79/26/563987926.db2.gz IJUDAFRDNWZOFP-UHFFFAOYSA-N 1 0 327.225 5.358 50 0 EKAARO Cc1cc(Nc2ccc(Br)cc2)c2ccc(C)c(C)c2[nH+]1 ZINC000000183384 563254826 /nfs/dbraw/zinc/25/48/26/563254826.db2.gz SLYACUQQABGWLN-UHFFFAOYSA-N 1 0 341.252 5.666 50 0 EKAARO COc1cc(Cl)c(C)cc1Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000000211909 563829471 /nfs/dbraw/zinc/82/94/71/563829471.db2.gz JOFBFAFKDRSJFC-UHFFFAOYSA-N 1 0 338.838 5.438 50 0 EKAARO CC1=C(CC[NH+]2CCN(c3cccc(Cl)c3)CC2)C(C)(C)CCC1 ZINC000000212115 563261157 /nfs/dbraw/zinc/26/11/57/563261157.db2.gz TUJMPLYHTCHYDT-UHFFFAOYSA-N 1 0 346.946 5.379 50 0 EKAARO CC[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000000213220 563261468 /nfs/dbraw/zinc/26/14/68/563261468.db2.gz AWUKMELMMYRBMQ-UHFFFAOYSA-N 1 0 325.839 5.622 50 0 EKAARO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)cc1OC ZINC000000217423 209490904 /nfs/dbraw/zinc/49/09/04/209490904.db2.gz PUWIKFREHDQCHT-IRXDYDNUSA-N 1 0 349.474 5.139 50 0 EKAARO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccc3ccccc32)cc1OC ZINC000000217435 209490318 /nfs/dbraw/zinc/49/03/18/209490318.db2.gz PUWIKFREHDQCHT-IAGOWNOFSA-N 1 0 349.474 5.139 50 0 EKAARO Cc1ccc2[nH+]c(C)cc(Nc3ccccc3Br)c2c1 ZINC000000256277 563267412 /nfs/dbraw/zinc/26/74/12/563267412.db2.gz PEWMNADCNXTFQR-UHFFFAOYSA-N 1 0 327.225 5.358 50 0 EKAARO Cc1cc(Nc2cccc(Br)c2)c2cccc(C)c2[nH+]1 ZINC000000256312 563267437 /nfs/dbraw/zinc/26/74/37/563267437.db2.gz SGNFPAMWMYLSBJ-UHFFFAOYSA-N 1 0 327.225 5.358 50 0 EKAARO CC[n+]1c(/C=C2/C=C(C)CC(C)(C)C2)sc2oc3ccccc3c21 ZINC000000259275 563989596 /nfs/dbraw/zinc/98/95/96/563989596.db2.gz UJVYMZYAMCPVMO-PTNGSMBKSA-N 1 0 338.496 6.105 50 0 EKAARO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000000279821 201457152 /nfs/dbraw/zinc/45/71/52/201457152.db2.gz UVHNUCRTVFKTMB-ZDUSSCGKSA-N 1 0 338.278 5.113 50 0 EKAARO CCOc1ccc2[nH+]c(C)cc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000000318837 563991022 /nfs/dbraw/zinc/99/10/22/563991022.db2.gz PUBHTXCVOXPZJB-UHFFFAOYSA-N 1 0 346.352 5.704 50 0 EKAARO COc1ccc2[nH+]c(C)cc(Nc3ccc(Cl)c(Cl)c3)c2c1 ZINC000000344392 563991435 /nfs/dbraw/zinc/99/14/35/563991435.db2.gz VGIBEFQNLZOXII-UHFFFAOYSA-N 1 0 333.218 5.602 50 0 EKAARO COc1ccc2[nH+]c(C)cc(Nc3ccc(Br)cc3)c2c1 ZINC000000344398 563991428 /nfs/dbraw/zinc/99/14/28/563991428.db2.gz LCYCNNMILXDYJX-UHFFFAOYSA-N 1 0 343.224 5.058 50 0 EKAARO CCC[NH+](CCC)Cc1ccccc1Sc1ccccc1OC ZINC000000346208 563287688 /nfs/dbraw/zinc/28/76/88/563287688.db2.gz LRZDRIKSLPGZTK-UHFFFAOYSA-N 1 0 329.509 5.468 50 0 EKAARO CCC[NH+](CCC)Cc1ccccc1Sc1ccc(OC)cc1 ZINC000000346219 563287691 /nfs/dbraw/zinc/28/76/91/563287691.db2.gz MECOLOGGEAOSSR-UHFFFAOYSA-N 1 0 329.509 5.468 50 0 EKAARO C[NH+](C)Cc1ccc(F)cc1Sc1ccc(Cl)cc1Cl ZINC000000346857 563288057 /nfs/dbraw/zinc/28/80/57/563288057.db2.gz JLOWBNWESRIHFY-UHFFFAOYSA-N 1 0 330.255 5.345 50 0 EKAARO C[NH+](C)Cc1ccc(F)cc1Sc1cc(Cl)ccc1Cl ZINC000000346858 205439103 /nfs/dbraw/zinc/43/91/03/205439103.db2.gz UNAWHUIPJQHFOG-UHFFFAOYSA-N 1 0 330.255 5.345 50 0 EKAARO C[NH+](C)Cc1cc(F)ccc1Sc1ccc(Cl)c(Cl)c1 ZINC000000346868 563991409 /nfs/dbraw/zinc/99/14/09/563991409.db2.gz TZKRTWCMPBTDMO-UHFFFAOYSA-N 1 0 330.255 5.345 50 0 EKAARO c1ccc2c(c1)O[C@H](CCC[NH+]1CCCCC1)c1ccccc1S2 ZINC000000347509 209544059 /nfs/dbraw/zinc/54/40/59/209544059.db2.gz HKTRXPBQEMJXKL-GOSISDBHSA-N 1 0 339.504 5.537 50 0 EKAARO c1ccc2c(c1)O[C@@H](CCC[NH+]1CCCCC1)c1ccccc1S2 ZINC000000347511 563288033 /nfs/dbraw/zinc/28/80/33/563288033.db2.gz HKTRXPBQEMJXKL-SFHVURJKSA-N 1 0 339.504 5.537 50 0 EKAARO C[NH+]1CCC([C@@H]2Sc3ccccc3Oc3ccc(Cl)cc32)CC1 ZINC000000347654 563991418 /nfs/dbraw/zinc/99/14/18/563991418.db2.gz IFACQIJBFUSDCD-IBGZPJMESA-N 1 0 345.895 5.621 50 0 EKAARO C[NH+]1CCC([C@H]2Sc3ccccc3Oc3ccc(Cl)cc32)CC1 ZINC000000347655 563991449 /nfs/dbraw/zinc/99/14/49/563991449.db2.gz IFACQIJBFUSDCD-LJQANCHMSA-N 1 0 345.895 5.621 50 0 EKAARO C[NH+]1CCC([C@@H]2Oc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000000347656 563288365 /nfs/dbraw/zinc/28/83/65/563288365.db2.gz DJBLGERXKWAXLD-IBGZPJMESA-N 1 0 345.895 5.267 50 0 EKAARO C[NH+]1CCC([C@H]2Oc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000000347657 563288385 /nfs/dbraw/zinc/28/83/85/563288385.db2.gz DJBLGERXKWAXLD-LJQANCHMSA-N 1 0 345.895 5.267 50 0 EKAARO Clc1ccc2c(c1)C[C@H]([NH2+]C1CCCC1)c1ccccc1S2 ZINC000000347665 563288403 /nfs/dbraw/zinc/28/84/03/563288403.db2.gz OTKGNXJDWIPSJN-KRWDZBQOSA-N 1 0 329.896 5.621 50 0 EKAARO Clc1ccc2c(c1)C[C@@H]([NH2+]C1CCCC1)c1ccccc1S2 ZINC000000347666 209544772 /nfs/dbraw/zinc/54/47/72/209544772.db2.gz OTKGNXJDWIPSJN-QGZVFWFLSA-N 1 0 329.896 5.621 50 0 EKAARO C[NH+](C)CCS[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000347677 563288396 /nfs/dbraw/zinc/28/83/96/563288396.db2.gz ZFZNTXIAUNKWJO-SFHVURJKSA-N 1 0 349.952 5.383 50 0 EKAARO C[NH+](C)CCS[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000347679 563288373 /nfs/dbraw/zinc/28/83/73/563288373.db2.gz ZFZNTXIAUNKWJO-GOSISDBHSA-N 1 0 349.952 5.383 50 0 EKAARO C[NH+](C)CCCC1=Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000347702 563991469 /nfs/dbraw/zinc/99/14/69/563991469.db2.gz LJQJGBITAHEYHB-UHFFFAOYSA-N 1 0 329.896 5.687 50 0 EKAARO C[NH+]1CCC([C@@H]2Oc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000000347780 563288369 /nfs/dbraw/zinc/28/83/69/563288369.db2.gz KGFKMQPKZITFIV-IBGZPJMESA-N 1 0 345.895 5.267 50 0 EKAARO C[NH+]1CCC([C@H]2Oc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000000347782 563288392 /nfs/dbraw/zinc/28/83/92/563288392.db2.gz KGFKMQPKZITFIV-LJQANCHMSA-N 1 0 345.895 5.267 50 0 EKAARO Clc1cc(Cl)c(-[n+]2nc(-c3ccccc3)cs2)c(Cl)c1 ZINC000000383882 563300908 /nfs/dbraw/zinc/30/09/08/563300908.db2.gz JWEQKARCPXDNOH-UHFFFAOYSA-N 1 0 342.658 5.047 50 0 EKAARO Cc1csc2n1c(C)c(-c1ccccc1)[n+]2-c1ccc(Cl)cc1 ZINC000000389462 563303796 /nfs/dbraw/zinc/30/37/96/563303796.db2.gz SQZQEMSLJNMKFM-UHFFFAOYSA-N 1 0 339.871 5.215 50 0 EKAARO CC(C)(C)c1ccc(-[n+]2c(-c3ccccc3)cn3c2SCCC3)cc1 ZINC000000389469 564082611 /nfs/dbraw/zinc/08/26/11/564082611.db2.gz LNVQLKVXRUDBQK-UHFFFAOYSA-N 1 0 349.523 5.225 50 0 EKAARO Cc1csc2n1c(-c1ccc(Cl)cc1)c(C)[n+]2-c1ccccc1 ZINC000000401041 563305929 /nfs/dbraw/zinc/30/59/29/563305929.db2.gz IJCPUBWLNGHRBV-UHFFFAOYSA-N 1 0 339.871 5.215 50 0 EKAARO C[N@@H+]1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 ZINC000000402830 563306366 /nfs/dbraw/zinc/30/63/66/563306366.db2.gz YNNUSGIPVFPVBX-NHCUHLMSSA-N 1 0 343.898 5.104 50 0 fda EKAARO c1csc(-c2cc(-c3cccs3)[o+]c(-c3cccs3)c2)c1 ZINC000000405035 563844063 /nfs/dbraw/zinc/84/40/63/563844063.db2.gz DACQIRISUWXBKO-UHFFFAOYSA-N 1 0 327.475 6.746 50 0 EKAARO Fc1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1Cl ZINC000000429735 563999070 /nfs/dbraw/zinc/99/90/70/563999070.db2.gz KOGABTAOZMLNIH-UHFFFAOYSA-N 1 0 326.802 5.650 50 0 EKAARO COc1ccc(Cl)cc1Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000000429739 563999091 /nfs/dbraw/zinc/99/90/91/563999091.db2.gz FKTGGJXNNYZJNA-UHFFFAOYSA-N 1 0 338.838 5.519 50 0 EKAARO O=C(c1ccc(Cl)cc1)[C@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000000495064 564017824 /nfs/dbraw/zinc/01/78/24/564017824.db2.gz RUULYUYZHVPRFZ-HXUWFJFHSA-N 1 0 341.882 5.183 50 0 EKAARO O=C(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCCCCC1)c1ccccc1 ZINC000000495065 564017859 /nfs/dbraw/zinc/01/78/59/564017859.db2.gz RUULYUYZHVPRFZ-FQEVSTJZSA-N 1 0 341.882 5.183 50 0 EKAARO CC(C)c1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000000514976 563339998 /nfs/dbraw/zinc/33/99/98/563339998.db2.gz GVISGCHNSPPWHJ-UHFFFAOYSA-N 1 0 336.479 5.048 50 0 EKAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(C)c(Cl)c3)c2c1 ZINC000000548611 563344513 /nfs/dbraw/zinc/34/45/13/563344513.db2.gz IEQLLFUQVJQXSL-UHFFFAOYSA-N 1 0 326.827 5.647 50 0 EKAARO Cc1ccc([C@@H](CC[NH2+][C@@H](C)c2cccs2)c2ccco2)cc1 ZINC000000549332 564022934 /nfs/dbraw/zinc/02/29/34/564022934.db2.gz JFDCWISCXVUYIG-FUHWJXTLSA-N 1 0 325.477 5.522 50 0 EKAARO Cc1[nH+]c2cc(NCc3cccs3)ccc2n1Cc1ccccc1 ZINC000000550498 564022875 /nfs/dbraw/zinc/02/28/75/564022875.db2.gz SGZMVWRXMLKLMP-UHFFFAOYSA-N 1 0 333.460 5.067 50 0 EKAARO c1ccc(-c2nc3c4ccccc4ccn3c2C[NH+]2CCCCC2)cc1 ZINC000000614863 563357432 /nfs/dbraw/zinc/35/74/32/563357432.db2.gz RMOPCVNTHPNOCX-UHFFFAOYSA-N 1 0 341.458 5.140 50 0 EKAARO Cc1ccc(O)c([C@@H](CC[NH+](C(C)C)C(C)C)c2ccccc2)c1 ZINC000000968335 563366279 /nfs/dbraw/zinc/36/62/79/563366279.db2.gz OOGJQPCLVADCPB-FQEVSTJZSA-N 1 0 325.496 5.341 50 0 world EKAARO Cc1ccc(O)c([C@H](CC[NH+](C(C)C)C(C)C)c2ccccc2)c1 ZINC000000968336 563366416 /nfs/dbraw/zinc/36/64/16/563366416.db2.gz OOGJQPCLVADCPB-HXUWFJFHSA-N 1 0 325.496 5.341 50 0 fda EKAARO Cc1ccccc1[C@H](OCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000000971610 201496029 /nfs/dbraw/zinc/49/60/29/201496029.db2.gz JPURAYRMIBQZRY-JOCHJYFZSA-N 1 0 325.496 5.220 50 0 EKAARO Cc1cc(Nc2cccc3ccccc32)c2c(N)c(C)cc(C)c2[nH+]1 ZINC000000980145 564053833 /nfs/dbraw/zinc/05/38/33/564053833.db2.gz VVHRJBXJTGLERW-UHFFFAOYSA-N 1 0 327.431 5.639 50 0 EKAARO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=C[C@H]1Cc1ccccc1 ZINC000001020101 563368936 /nfs/dbraw/zinc/36/89/36/563368936.db2.gz NFIPWGKWVMOVFY-JOCHJYFZSA-N 1 0 330.475 5.197 50 0 EKAARO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=C[C@@H]1Cc1ccccc1 ZINC000001020102 563369061 /nfs/dbraw/zinc/36/90/61/563369061.db2.gz NFIPWGKWVMOVFY-QFIPXVFZSA-N 1 0 330.475 5.197 50 0 EKAARO Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1 ZINC000001031692 563369390 /nfs/dbraw/zinc/36/93/90/563369390.db2.gz KNQQKKJIUATUAK-SFTDATJTSA-N 1 0 340.470 5.146 50 0 EKAARO Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 ZINC000001031695 563369417 /nfs/dbraw/zinc/36/94/17/563369417.db2.gz KNQQKKJIUATUAK-NHCUHLMSSA-N 1 0 340.470 5.146 50 0 EKAARO C[C@H]1CC2(CCCCC2)[N+](=O)C(Cc2ccccc2)c2ccccc21 ZINC000001100901 564054386 /nfs/dbraw/zinc/05/43/86/564054386.db2.gz MCLCMYDTWMAVGS-SFHVURJKSA-N 1 0 333.475 5.439 50 0 EKAARO C[C@@H]1CC2(CCCCC2)[N+](=O)C(Cc2ccccc2)c2ccccc21 ZINC000001100902 209711442 /nfs/dbraw/zinc/71/14/42/209711442.db2.gz MCLCMYDTWMAVGS-GOSISDBHSA-N 1 0 333.475 5.439 50 0 EKAARO CCn1c2ccccc2c2cc(C[N@H+](C)Cc3ccccc3)ccc21 ZINC000001108049 563374920 /nfs/dbraw/zinc/37/49/20/563374920.db2.gz XPEPWIKTPSRGAT-UHFFFAOYSA-N 1 0 328.459 5.446 50 0 EKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)o1 ZINC000001211977 563917814 /nfs/dbraw/zinc/91/78/14/563917814.db2.gz NPORLOPTWBLJAH-AEFFLSMTSA-N 1 0 335.491 6.148 50 0 EKAARO CC[N@H+](Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000001226134 563380414 /nfs/dbraw/zinc/38/04/14/563380414.db2.gz ASXJYXZVDASYGU-UHFFFAOYSA-N 1 0 331.459 5.288 50 0 EKAARO CCn1c2ccccc2c2cc(C[N@H+](CC)Cc3ccccc3)ccc21 ZINC000001226435 563380390 /nfs/dbraw/zinc/38/03/90/563380390.db2.gz XJJBQWKXDCTENI-UHFFFAOYSA-N 1 0 342.486 5.837 50 0 EKAARO c1[nH]c2ccccc2c1CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000001279899 564062893 /nfs/dbraw/zinc/06/28/93/564062893.db2.gz WEWPMAKQEUSKPV-UHFFFAOYSA-N 1 0 340.470 5.413 50 0 EKAARO C[C@@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CC[N@@H+]2C1 ZINC000001295561 564063030 /nfs/dbraw/zinc/06/30/30/564063030.db2.gz VAABMKSTVWFIJI-KOSHJBKYSA-N 1 0 344.502 5.193 50 0 EKAARO C[C@H]1CC[C@H]2c3c(c4ccccc4n3Cc3ccccc3)CC[N@@H+]2C1 ZINC000001295727 564063039 /nfs/dbraw/zinc/06/30/39/564063039.db2.gz MIAAJFLJFWAPKY-JTSKRJEESA-N 1 0 330.475 5.019 50 0 EKAARO CCOC1=C(C[NH+]2CCCCC2)[C@@H](c2ccccc2)Oc2ccccc21 ZINC000001408488 564065287 /nfs/dbraw/zinc/06/52/87/564065287.db2.gz XQLIBJSUSHCWAW-JOCHJYFZSA-N 1 0 349.474 5.054 50 0 EKAARO CCOC1=C(C[NH+]2CCCCC2)[C@H](c2ccccc2)Oc2ccccc21 ZINC000001408489 209742747 /nfs/dbraw/zinc/74/27/47/209742747.db2.gz XQLIBJSUSHCWAW-QFIPXVFZSA-N 1 0 349.474 5.054 50 0 EKAARO CC(C)(C)c1cc(C(=O)CC[NH+]2CCCCC2)cc(C(C)(C)C)c1O ZINC000001468006 564177325 /nfs/dbraw/zinc/17/73/25/564177325.db2.gz VYALFAJPSBJFCG-UHFFFAOYSA-N 1 0 345.527 5.046 50 0 EKAARO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000001482795 563391022 /nfs/dbraw/zinc/39/10/22/563391022.db2.gz HVONCPPQPQQFOE-IBGZPJMESA-N 1 0 340.470 5.540 50 0 EKAARO CC(C)[N@H+](CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000001487934 563391066 /nfs/dbraw/zinc/39/10/66/563391066.db2.gz JSASWRWALCMOQP-UHFFFAOYSA-N 1 0 331.459 5.323 50 0 aggregator,in-vitro EKAARO C[NH+](C)Cc1c(-c2ccccc2)c(-c2ccccc2)c2ccccn21 ZINC000001720405 563406912 /nfs/dbraw/zinc/40/69/12/563406912.db2.gz SKEZGBBSUJOICM-UHFFFAOYSA-N 1 0 326.443 5.335 50 0 EKAARO c1ccc(C[NH+](CCCOc2ccccc2)Cc2ccccc2)cc1 ZINC000001726981 564076028 /nfs/dbraw/zinc/07/60/28/564076028.db2.gz SGLRHRHESOSRDS-UHFFFAOYSA-N 1 0 331.459 5.158 50 0 EKAARO COc1ccc([C@H](CC[NH2+]Cc2ccccc2)c2ccc(C)cc2)cc1 ZINC000001799834 564087772 /nfs/dbraw/zinc/08/77/72/564087772.db2.gz NCAQBZAGWJVTOE-XMMPIXPASA-N 1 0 345.486 5.315 50 0 EKAARO COc1ccc([C@@H](CC[NH2+]Cc2ccccc2)c2ccc(C)cc2)cc1 ZINC000001799836 564087761 /nfs/dbraw/zinc/08/77/61/564087761.db2.gz NCAQBZAGWJVTOE-DEOSSOPVSA-N 1 0 345.486 5.315 50 0 EKAARO CCN1c2ccccc2SC1=Cc1cc(C(C)(C)C)cc(C)[o+]1 ZINC000001803596 564087782 /nfs/dbraw/zinc/08/77/82/564087782.db2.gz RTGIGYXJJORFTP-DTQAZKPQSA-N 1 0 326.485 5.456 50 0 EKAARO CC(C)Oc1ccc(C[NH2+]CC[C@H](c2ccco2)c2ccccc2)cc1 ZINC000001823405 564088736 /nfs/dbraw/zinc/08/87/36/564088736.db2.gz CYRLRIREPUSROD-QFIPXVFZSA-N 1 0 349.474 5.379 50 0 EKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@H](c2ccco2)c2ccccc2)cc1 ZINC000001823406 564088717 /nfs/dbraw/zinc/08/87/17/564088717.db2.gz CYRLRIREPUSROD-JOCHJYFZSA-N 1 0 349.474 5.379 50 0 EKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@@H](C)c2ccccc2)C(C)C)cc1 ZINC000001825112 209796827 /nfs/dbraw/zinc/79/68/27/209796827.db2.gz JUPPCYFYDOVKAA-WMZHIEFXSA-N 1 0 339.523 5.954 50 0 EKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccccc2)C(C)C)cc1 ZINC000001825113 564088734 /nfs/dbraw/zinc/08/87/34/564088734.db2.gz JUPPCYFYDOVKAA-CVDCTZTESA-N 1 0 339.523 5.954 50 0 EKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@H](C)c2ccccc2)C(C)C)cc1 ZINC000001825114 564088741 /nfs/dbraw/zinc/08/87/41/564088741.db2.gz JUPPCYFYDOVKAA-AUSIDOKSSA-N 1 0 339.523 5.954 50 0 EKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@H](C)c2ccccc2)C(C)C)cc1 ZINC000001825115 564088711 /nfs/dbraw/zinc/08/87/11/564088711.db2.gz JUPPCYFYDOVKAA-XXBNENTESA-N 1 0 339.523 5.954 50 0 EKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccccc2)C(C)C)cc1 ZINC000001826518 564088737 /nfs/dbraw/zinc/08/87/37/564088737.db2.gz PSDACXDDUBJSOW-JOCHJYFZSA-N 1 0 325.496 5.393 50 0 EKAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccccc2)C(C)C)cc1 ZINC000001826519 564088742 /nfs/dbraw/zinc/08/87/42/564088742.db2.gz PSDACXDDUBJSOW-QFIPXVFZSA-N 1 0 325.496 5.393 50 0 EKAARO COc1ccc([C@@H](CC[NH2+]Cc2ccccc2)Cc2ccccc2)cc1 ZINC000001831925 209798512 /nfs/dbraw/zinc/79/85/12/209798512.db2.gz WQXVARGDPNMMCD-QHCPKHFHSA-N 1 0 345.486 5.201 50 0 EKAARO COc1ccc([C@H](CC[NH2+]Cc2ccccc2)Cc2ccccc2)cc1 ZINC000001831926 564057962 /nfs/dbraw/zinc/05/79/62/564057962.db2.gz WQXVARGDPNMMCD-HSZRJFAPSA-N 1 0 345.486 5.201 50 0 EKAARO C[C@@H]([NH2+]CCc1ccccc1)[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000001836508 209798478 /nfs/dbraw/zinc/79/84/78/209798478.db2.gz VUZGHCOZWVELNI-LEWJYISDSA-N 1 0 343.514 5.675 50 0 EKAARO C[C@@H]([NH2+]CCc1ccccc1)[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000001836509 564088796 /nfs/dbraw/zinc/08/87/96/564088796.db2.gz VUZGHCOZWVELNI-NHCUHLMSSA-N 1 0 343.514 5.675 50 0 EKAARO C[C@H](C(c1ccccc1)c1ccccc1)[C@H](C)[NH2+]CCc1ccccc1 ZINC000001836510 564088788 /nfs/dbraw/zinc/08/87/88/564088788.db2.gz VUZGHCOZWVELNI-SFTDATJTSA-N 1 0 343.514 5.675 50 0 EKAARO C[C@H]([NH2+]CCc1ccccc1)[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000001836511 564088802 /nfs/dbraw/zinc/08/88/02/564088802.db2.gz VUZGHCOZWVELNI-RTWAWAEBSA-N 1 0 343.514 5.675 50 0 EKAARO C[C@H]1CC(=[NH+]C2CCCCC2)Nc2ccccc2N1Cc1ccccc1 ZINC000001863738 564088983 /nfs/dbraw/zinc/08/89/83/564088983.db2.gz GYUWWNGCFSDGRK-SFHVURJKSA-N 1 0 347.506 5.438 50 0 EKAARO [NH2+]=C1NC2=C(CCCC2=Cc2ccccc2)[C@H](c2ccccc2)S1 ZINC000001875788 563415181 /nfs/dbraw/zinc/41/51/81/563415181.db2.gz PIPGYAQPEYOBLO-QMEWPPBRSA-N 1 0 332.472 5.311 50 0 EKAARO [NH2+]=C1NC2=C(CCCC2=Cc2ccccc2)[C@H](c2ccccc2)S1 ZINC000001875789 564089010 /nfs/dbraw/zinc/08/90/10/564089010.db2.gz PIPGYAQPEYOBLO-PZSQYBTKSA-N 1 0 332.472 5.311 50 0 EKAARO [NH2+]=C1NC2=C(CCCC2=Cc2ccccc2)[C@@H](c2ccccc2)S1 ZINC000001875790 563415130 /nfs/dbraw/zinc/41/51/30/563415130.db2.gz PIPGYAQPEYOBLO-BBKFTCMMSA-N 1 0 332.472 5.311 50 0 EKAARO [NH2+]=C1NC2=C(CCCC2=Cc2ccccc2)[C@@H](c2ccccc2)S1 ZINC000001875791 564088987 /nfs/dbraw/zinc/08/89/87/564088987.db2.gz PIPGYAQPEYOBLO-NMIWIPSGSA-N 1 0 332.472 5.311 50 0 EKAARO C[NH2+]CC[C@H](Sc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000002012430 209810940 /nfs/dbraw/zinc/81/09/40/209810940.db2.gz FNDOIOWNVFFQBG-INIZCTEOSA-N 1 0 325.399 5.148 50 0 EKAARO CC(C)[N@H+](CC(=O)c1ccc(C2CCCC2)cc1)Cc1ccccc1 ZINC000002021336 564003657 /nfs/dbraw/zinc/00/36/57/564003657.db2.gz FCQQBXIHDMJFPT-UHFFFAOYSA-N 1 0 335.491 5.438 50 0 EKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCCn1c2ccccc2c2ccccc21 ZINC000002024759 209812307 /nfs/dbraw/zinc/81/23/07/209812307.db2.gz WIMYUILTCSIRQN-OALUTQOASA-N 1 0 334.507 5.838 50 0 EKAARO C[N@H+](Cc1ccccc1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002057892 563420376 /nfs/dbraw/zinc/42/03/76/563420376.db2.gz RNXIQKQYYGIDAB-UHFFFAOYSA-N 1 0 339.523 5.619 50 0 EKAARO C[C@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CC[N@@H+]2C1 ZINC000002097813 564117602 /nfs/dbraw/zinc/11/76/02/564117602.db2.gz VAABMKSTVWFIJI-UUOWRZLLSA-N 1 0 344.502 5.193 50 0 EKAARO CC(C)[NH2+]C[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000002106560 564058297 /nfs/dbraw/zinc/05/82/97/564058297.db2.gz HRROJQJBNRGRQT-PZSZKOGDSA-N 1 0 347.587 5.148 50 0 EKAARO C[C@H]([NH2+]CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)c1ccccc1 ZINC000002110171 563422674 /nfs/dbraw/zinc/42/26/74/563422674.db2.gz PLOSVZGCTGIPMD-WMZHIEFXSA-N 1 0 337.507 5.254 50 0 EKAARO C[C@H]([NH2+]CC[C@]1(c2ccccc2)CCOC(C)(C)C1)c1ccccc1 ZINC000002110173 563422589 /nfs/dbraw/zinc/42/25/89/563422589.db2.gz PLOSVZGCTGIPMD-CVDCTZTESA-N 1 0 337.507 5.254 50 0 EKAARO CC(C)CC[C@@]1(CC[NH2+][C@@H](C)c2ccccc2)CCOC(C)(C)C1 ZINC000002111864 209820331 /nfs/dbraw/zinc/82/03/31/209820331.db2.gz ZJDLVBRPNKOGFF-SIKLNZKXSA-N 1 0 331.544 5.739 50 0 EKAARO CC(C)CC[C@]1(CC[NH2+][C@@H](C)c2ccccc2)CCOC(C)(C)C1 ZINC000002111866 564118076 /nfs/dbraw/zinc/11/80/76/564118076.db2.gz ZJDLVBRPNKOGFF-UGKGYDQZSA-N 1 0 331.544 5.739 50 0 EKAARO CC(C)CC[C@@]1(CC[NH2+][C@H](C)c2ccccc2)CCOC(C)(C)C1 ZINC000002111867 564118067 /nfs/dbraw/zinc/11/80/67/564118067.db2.gz ZJDLVBRPNKOGFF-DENIHFKCSA-N 1 0 331.544 5.739 50 0 EKAARO CC(C)CC[C@]1(CC[NH2+][C@H](C)c2ccccc2)CCOC(C)(C)C1 ZINC000002111868 564118051 /nfs/dbraw/zinc/11/80/51/564118051.db2.gz ZJDLVBRPNKOGFF-KNQAVFIVSA-N 1 0 331.544 5.739 50 0 EKAARO C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](c2ccccc2)c2ccccc2C1 ZINC000002172295 258049465 /nfs/dbraw/zinc/04/94/65/258049465.db2.gz SNUVBTJYLUPNFL-ZEQRLZLVSA-N 1 0 327.471 5.438 50 0 EKAARO C[N@@H+]1Cc2ccccc2[C@H]1C1c2ccccc2CCc2ccccc21 ZINC000002172328 258049484 /nfs/dbraw/zinc/04/94/84/258049484.db2.gz FAZGOYZHDVJKNJ-DEOSSOPVSA-N 1 0 325.455 5.104 50 0 EKAARO C[N@@H+]1Cc2ccccc2[C@@H]1C1c2ccccc2CCc2ccccc21 ZINC000002172330 258049538 /nfs/dbraw/zinc/04/95/38/258049538.db2.gz FAZGOYZHDVJKNJ-XMMPIXPASA-N 1 0 325.455 5.104 50 0 EKAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]C1CCCC1 ZINC000002177949 563425422 /nfs/dbraw/zinc/42/54/22/563425422.db2.gz KTYYHCBKZZTAOI-UHFFFAOYSA-N 1 0 333.834 5.090 50 0 EKAARO c1ccc([C@H]2[C@@H]3CCCC[C@]3([NH+]3CCCC3)ON2c2ccccc2)cc1 ZINC000002184613 563425895 /nfs/dbraw/zinc/42/58/95/563425895.db2.gz SQSXAQLOKCEYPF-VABKMULXSA-N 1 0 348.490 5.162 50 0 EKAARO Clc1ccc2c(c1)C[C@H]([NH+]1CCCCCC1)c1ccccc1S2 ZINC000002187342 563426213 /nfs/dbraw/zinc/42/62/13/563426213.db2.gz NZUINDLDOFFABW-SFHVURJKSA-N 1 0 343.923 5.964 50 0 EKAARO Clc1ccc2c(c1)C[C@@H]([NH+]1CCCCCC1)c1ccccc1S2 ZINC000002187343 563426207 /nfs/dbraw/zinc/42/62/07/563426207.db2.gz NZUINDLDOFFABW-GOSISDBHSA-N 1 0 343.923 5.964 50 0 EKAARO C[NH2+]CC[C@@H](Sc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000002187398 209828052 /nfs/dbraw/zinc/82/80/52/209828052.db2.gz FNDOIOWNVFFQBG-MRXNPFEDSA-N 1 0 325.399 5.148 50 0 EKAARO C[NH+](C)Cc1ccc(Cl)cc1Sc1ccc(Cl)cc1Cl ZINC000002187523 563426176 /nfs/dbraw/zinc/42/61/76/563426176.db2.gz WWACKUBPXMSXLM-UHFFFAOYSA-N 1 0 346.710 5.860 50 0 EKAARO C[NH+](C)Cc1ccc(Cl)cc1Sc1cc(Cl)ccc1Cl ZINC000002187524 563426258 /nfs/dbraw/zinc/42/62/58/563426258.db2.gz OVZAOFQPUPVZOO-UHFFFAOYSA-N 1 0 346.710 5.860 50 0 EKAARO Clc1ccc([C@H](CC[NH2+]Cc2ccco2)Cc2ccccc2)cc1 ZINC000002194713 564120794 /nfs/dbraw/zinc/12/07/94/564120794.db2.gz DNQZBCYGPJQUOJ-LJQANCHMSA-N 1 0 339.866 5.439 50 0 EKAARO Clc1ccc([C@@H](CC[NH2+]Cc2ccco2)Cc2ccccc2)cc1 ZINC000002194715 564120800 /nfs/dbraw/zinc/12/08/00/564120800.db2.gz DNQZBCYGPJQUOJ-IBGZPJMESA-N 1 0 339.866 5.439 50 0 EKAARO CC(C)Oc1ccc(C[NH2+]CC[C@]2(C(C)C)CCOC(C)(C)C2)cc1 ZINC000002200731 564120909 /nfs/dbraw/zinc/12/09/09/564120909.db2.gz YFODDWIUJODQNJ-QFIPXVFZSA-N 1 0 347.543 5.185 50 0 EKAARO CC(C)Oc1ccc(C[NH2+]CC[C@@]2(C(C)C)CCOC(C)(C)C2)cc1 ZINC000002200732 564120926 /nfs/dbraw/zinc/12/09/26/564120926.db2.gz YFODDWIUJODQNJ-JOCHJYFZSA-N 1 0 347.543 5.185 50 0 EKAARO CC(C)CC[C@@H](CC[NH2+]Cc1cccs1)c1ccc2c(c1)OCO2 ZINC000002208390 209831047 /nfs/dbraw/zinc/83/10/47/209831047.db2.gz IIJOWOYOXBSRCU-INIZCTEOSA-N 1 0 345.508 5.177 50 0 EKAARO CC(C)CC[C@H](CC[NH2+]Cc1cccs1)c1ccc2c(c1)OCO2 ZINC000002208391 564121209 /nfs/dbraw/zinc/12/12/09/564121209.db2.gz IIJOWOYOXBSRCU-MRXNPFEDSA-N 1 0 345.508 5.177 50 0 EKAARO COc1ccc([C@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)C(C)C)cc1 ZINC000002213954 564122999 /nfs/dbraw/zinc/12/29/99/564122999.db2.gz CAHWGTXKPSGYFT-HRAATJIYSA-N 1 0 345.914 5.829 50 0 EKAARO COc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccc(Cl)cc2)C(C)C)cc1 ZINC000002213957 209830404 /nfs/dbraw/zinc/83/04/04/209830404.db2.gz CAHWGTXKPSGYFT-KKSFZXQISA-N 1 0 345.914 5.829 50 0 EKAARO COc1ccc([C@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)C(C)C)cc1 ZINC000002213959 564123013 /nfs/dbraw/zinc/12/30/13/564123013.db2.gz CAHWGTXKPSGYFT-IIBYNOLFSA-N 1 0 345.914 5.829 50 0 EKAARO COc1ccc([C@@H](CC[NH2+][C@H](C)c2ccc(Cl)cc2)C(C)C)cc1 ZINC000002213960 564123021 /nfs/dbraw/zinc/12/30/21/564123021.db2.gz CAHWGTXKPSGYFT-IERDGZPVSA-N 1 0 345.914 5.829 50 0 EKAARO Fc1ccc([C@H](CC[NH2+]Cc2ccc(Cl)cc2)c2ccco2)cc1 ZINC000002273115 564125607 /nfs/dbraw/zinc/12/56/07/564125607.db2.gz KYVAZSISNIBCIX-IBGZPJMESA-N 1 0 343.829 5.384 50 0 EKAARO Fc1ccc([C@@H](CC[NH2+]Cc2ccc(Cl)cc2)c2ccco2)cc1 ZINC000002273116 201528644 /nfs/dbraw/zinc/52/86/44/201528644.db2.gz KYVAZSISNIBCIX-LJQANCHMSA-N 1 0 343.829 5.384 50 0 EKAARO CC(C)C[NH+](Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC(C)C ZINC000002273479 564125619 /nfs/dbraw/zinc/12/56/19/564125619.db2.gz WPYQUWOMOGNOTA-UHFFFAOYSA-N 1 0 347.587 6.101 50 0 EKAARO Cc1ccc([C@@]2(CC[NH2+]Cc3ccccc3)CCOC(C)(C)C2)cc1 ZINC000002286856 564130275 /nfs/dbraw/zinc/13/02/75/564130275.db2.gz DEDQQMCCFPHYCV-QHCPKHFHSA-N 1 0 337.507 5.002 50 0 EKAARO Cc1ccc([C@]2(CC[NH2+]Cc3ccccc3)CCOC(C)(C)C2)cc1 ZINC000002286857 564130270 /nfs/dbraw/zinc/13/02/70/564130270.db2.gz DEDQQMCCFPHYCV-HSZRJFAPSA-N 1 0 337.507 5.002 50 0 EKAARO C[C@H]([NH2+]CC[C@@H](c1ccccc1)c1ccccc1O)c1ccccc1 ZINC000002294875 564131733 /nfs/dbraw/zinc/13/17/33/564131733.db2.gz PBCGLNLOJZZAQT-RXVVDRJESA-N 1 0 331.459 5.265 50 0 EKAARO C[C@@H]([NH2+]CC[C@@H](c1ccccc1)c1ccccc1O)c1ccccc1 ZINC000002294876 564131726 /nfs/dbraw/zinc/13/17/26/564131726.db2.gz PBCGLNLOJZZAQT-NQIIRXRSSA-N 1 0 331.459 5.265 50 0 EKAARO C[C@H]([NH2+]CC[C@H](c1ccccc1)c1ccccc1O)c1ccccc1 ZINC000002294877 564131750 /nfs/dbraw/zinc/13/17/50/564131750.db2.gz PBCGLNLOJZZAQT-GHTZIAJQSA-N 1 0 331.459 5.265 50 0 EKAARO C[C@@H]([NH2+]CC[C@H](c1ccccc1)c1ccccc1O)c1ccccc1 ZINC000002294878 201528542 /nfs/dbraw/zinc/52/85/42/201528542.db2.gz PBCGLNLOJZZAQT-WIYYLYMNSA-N 1 0 331.459 5.265 50 0 EKAARO Cc1[nH+]c2ccccc2c(Nc2ccccc2)c1CC=C(Cl)Cl ZINC000002322716 564132313 /nfs/dbraw/zinc/13/23/13/564132313.db2.gz BRSGSZLJTAYGGU-UHFFFAOYSA-N 1 0 343.257 6.148 50 0 EKAARO COc1ccc([C@@H](CC[NH2+]Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000002444199 205615920 /nfs/dbraw/zinc/61/59/20/205615920.db2.gz JKQHGOLFKHLBOU-QHCPKHFHSA-N 1 0 349.449 5.146 50 0 EKAARO COc1ccc([C@H](CC[NH2+]Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000002444200 564135251 /nfs/dbraw/zinc/13/52/51/564135251.db2.gz JKQHGOLFKHLBOU-HSZRJFAPSA-N 1 0 349.449 5.146 50 0 EKAARO COc1ccc([C@H](CC[NH2+][C@@H](C)c2ccccc2)CCC(C)C)cc1 ZINC000002446810 564135260 /nfs/dbraw/zinc/13/52/60/564135260.db2.gz APSCIINPCPVIBE-UGKGYDQZSA-N 1 0 339.523 5.956 50 0 EKAARO COc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccccc2)CCC(C)C)cc1 ZINC000002446811 564135268 /nfs/dbraw/zinc/13/52/68/564135268.db2.gz APSCIINPCPVIBE-SIKLNZKXSA-N 1 0 339.523 5.956 50 0 EKAARO COc1ccc([C@H](CC[NH2+][C@H](C)c2ccccc2)CCC(C)C)cc1 ZINC000002446812 564135283 /nfs/dbraw/zinc/13/52/83/564135283.db2.gz 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ZINC000002464259 564013349 /nfs/dbraw/zinc/01/33/49/564013349.db2.gz ASUHHAGHSBWMRS-UHFFFAOYSA-N 1 0 328.459 5.147 50 0 EKAARO Cc1ccc2nc(-c3cccnc3)c(Nc3ccc(Cl)cc3)n2c1 ZINC000002466473 564149677 /nfs/dbraw/zinc/14/96/77/564149677.db2.gz UAYMSYVJWUSTKB-UHFFFAOYSA-N 1 0 334.810 5.102 50 0 EKAARO CC(C)=CCC[C@H](C)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000002494713 563434165 /nfs/dbraw/zinc/43/41/65/563434165.db2.gz HMJREHKHXDHXIL-SFHVURJKSA-N 1 0 334.935 5.235 50 0 EKAARO CC(C)=CCCCCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000002494813 563434206 /nfs/dbraw/zinc/43/42/06/563434206.db2.gz XDJRUQIBYMTLLT-UHFFFAOYSA-N 1 0 334.935 5.379 50 0 EKAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1Cl ZINC000002514528 201534373 /nfs/dbraw/zinc/53/43/73/201534373.db2.gz CULQUMAUEZNTJB-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000002514529 563435314 /nfs/dbraw/zinc/43/53/14/563435314.db2.gz GSWFSJKTUCQXDL-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000002514530 563435549 /nfs/dbraw/zinc/43/55/49/563435549.db2.gz PGLQFJRLVCRJLS-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000002514531 563435553 /nfs/dbraw/zinc/43/55/53/563435553.db2.gz MFTMFKRBKGPUMD-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000002514532 563435651 /nfs/dbraw/zinc/43/56/51/563435651.db2.gz FAYZYKJHWNUSEN-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1cccc(Cl)c1Cl ZINC000002515029 563435809 /nfs/dbraw/zinc/43/58/09/563435809.db2.gz XCEFCQPNEYFTAJ-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)cc1Cl ZINC000002515030 563435816 /nfs/dbraw/zinc/43/58/16/563435816.db2.gz QZXGLVYVIVFGFE-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1cc(Cl)ccc1Cl ZINC000002515031 563435896 /nfs/dbraw/zinc/43/58/96/563435896.db2.gz UHTFXWVQTNURIT-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000002515032 563435941 /nfs/dbraw/zinc/43/59/41/563435941.db2.gz NDRVCSVHJNHGSC-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000002515033 563435862 /nfs/dbraw/zinc/43/58/62/563435862.db2.gz LDNFVHDAOOBCIF-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1ccccc1C[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000002515526 563436719 /nfs/dbraw/zinc/43/67/19/563436719.db2.gz MZEHULYMFISHME-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1ccc(Cl)cc1Cl)c1ccccc1C[NH+]1CCCCC1 ZINC000002515527 563436592 /nfs/dbraw/zinc/43/65/92/563436592.db2.gz LNBDVTJACNOQTP-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1ccccc1C[NH+]1CCCCC1)c1cc(Cl)ccc1Cl ZINC000002515528 563436544 /nfs/dbraw/zinc/43/65/44/563436544.db2.gz HTGCTWAQPOJPHO-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515529 563436727 /nfs/dbraw/zinc/43/67/27/563436727.db2.gz TVPJJIXKYYPGIN-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515530 563436556 /nfs/dbraw/zinc/43/65/56/563436556.db2.gz LHBZQVSUTPVNMR-UHFFFAOYSA-N 1 0 348.273 5.210 50 0 EKAARO CCN1C=C/C(=C\c2cc[n+](CC)c3ccccc23)c2ccccc21 ZINC000002517052 563437741 /nfs/dbraw/zinc/43/77/41/563437741.db2.gz PBYSOAALDIVUSK-UHFFFAOYSA-N 1 0 327.451 5.041 50 0 EKAARO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000002569292 563442232 /nfs/dbraw/zinc/44/22/32/563442232.db2.gz PEXNOWUVNJBAPF-ROUUACIJSA-N 1 0 325.455 6.405 50 0 EKAARO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000002569297 563442202 /nfs/dbraw/zinc/44/22/02/563442202.db2.gz PEXNOWUVNJBAPF-QZTJIDSGSA-N 1 0 325.455 6.405 50 0 EKAARO CCn1c2ccccc2c2cc(C[NH2+]CCc3ccc(F)cc3)ccc21 ZINC000002738303 563447735 /nfs/dbraw/zinc/44/77/35/563447735.db2.gz LXGDCUZYFQEJGW-UHFFFAOYSA-N 1 0 346.449 5.286 50 0 EKAARO CCn1c2ccccc2c2cc(C[NH2+]Cc3ccc(OC)cc3)ccc21 ZINC000002738727 563447686 /nfs/dbraw/zinc/44/76/86/563447686.db2.gz PZCUFYOFOLBPAR-UHFFFAOYSA-N 1 0 344.458 5.113 50 0 EKAARO c1ccc(CC2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000002810926 209920265 /nfs/dbraw/zinc/92/02/65/209920265.db2.gz XXXYSQDTYBMDAV-UHFFFAOYSA-N 1 0 341.498 5.808 50 0 EKAARO C[C@H]1CCC[N@H+](CCCCOc2ccc(Cl)c3ccccc23)C1 ZINC000002823119 564116992 /nfs/dbraw/zinc/11/69/92/564116992.db2.gz RDROBRDUURLING-INIZCTEOSA-N 1 0 331.887 5.384 50 0 EKAARO C[C@@H]1CCC[N@H+](CCCCOc2ccc(Cl)c3ccccc23)C1 ZINC000002823120 564116965 /nfs/dbraw/zinc/11/69/65/564116965.db2.gz RDROBRDUURLING-MRXNPFEDSA-N 1 0 331.887 5.384 50 0 EKAARO C[N@H+](CCCOc1ccccc1-c1ccccc1)Cc1ccccc1 ZINC000002823126 564116950 /nfs/dbraw/zinc/11/69/50/564116950.db2.gz SKQCYXHKKAHDSV-UHFFFAOYSA-N 1 0 331.459 5.255 50 0 EKAARO C/C=C/c1ccc(OCCCC[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000002823158 564116981 /nfs/dbraw/zinc/11/69/81/564116981.db2.gz QKDSSYZNTLJPGR-ONNFQVAWSA-N 1 0 339.479 5.019 50 0 EKAARO CC(C)(c1ccccc1)c1ccc(OCC[NH2+]Cc2ccccc2)cc1 ZINC000002823341 564116956 /nfs/dbraw/zinc/11/69/56/564116956.db2.gz ILQPBTUSHBOIBZ-UHFFFAOYSA-N 1 0 345.486 5.181 50 0 EKAARO Cc1c(Cl)ccc(OCCCC[N@@H+](C)Cc2ccccc2)c1C ZINC000002823484 564116986 /nfs/dbraw/zinc/11/69/86/564116986.db2.gz BEVRSXLNGHMMMI-UHFFFAOYSA-N 1 0 331.887 5.248 50 0 EKAARO Cc1ccc(C(C)(C)C)c(OCCCC[NH2+]Cc2ccccc2)c1 ZINC000002823897 209923120 /nfs/dbraw/zinc/92/31/20/209923120.db2.gz SVSFEHYQBUGPOQ-UHFFFAOYSA-N 1 0 325.496 5.241 50 0 EKAARO C[N@H+](CCCCOc1ccccc1-c1ccccc1)Cc1ccccc1 ZINC000002824126 564117016 /nfs/dbraw/zinc/11/70/16/564117016.db2.gz HRPJHYXEBNQPQU-UHFFFAOYSA-N 1 0 345.486 5.645 50 0 EKAARO Clc1ccc(OCCC[NH2+]Cc2ccccc2)c2ccccc12 ZINC000002825057 564117043 /nfs/dbraw/zinc/11/70/43/564117043.db2.gz FDOPSQKOWCDLFO-UHFFFAOYSA-N 1 0 325.839 5.052 50 0 EKAARO CCC[NH+](CCC)CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002828908 563918006 /nfs/dbraw/zinc/91/80/06/563918006.db2.gz KSAJFIJJDQAVCL-UHFFFAOYSA-N 1 0 347.543 5.292 50 0 EKAARO CC1(C)Nc2ccccc2-c2c1ss/c2=[NH+]\C1CCCCC1 ZINC000002831594 209924829 /nfs/dbraw/zinc/92/48/29/209924829.db2.gz BSXJDEIJBJBKOK-ZPHPHTNESA-N 1 0 330.522 5.371 50 0 EKAARO c1ccc(-c2ccccc2OCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002845178 563454883 /nfs/dbraw/zinc/45/48/83/563454883.db2.gz JGKQUJXIZOZFKV-UHFFFAOYSA-N 1 0 343.470 5.181 50 0 EKAARO CCOc1cc(C[NH2+]CC(C)C)cc(Cl)c1OCc1ccccc1 ZINC000002863693 563457676 /nfs/dbraw/zinc/45/76/76/563457676.db2.gz VCFMSCYCPPBCCW-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO c1ccc(Oc2cccc(OCCCC[NH+]3CCCCC3)c2)cc1 ZINC000002880415 563460665 /nfs/dbraw/zinc/46/06/65/563460665.db2.gz AWYJAIHIBJZKIZ-UHFFFAOYSA-N 1 0 325.452 5.124 50 0 EKAARO CCOc1c(Cl)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1OC ZINC000002881980 201550831 /nfs/dbraw/zinc/55/08/31/201550831.db2.gz ZVNVJRINYFJPAT-UHFFFAOYSA-N 1 0 327.896 5.052 50 0 EKAARO COc1cc(Cl)cc(C[NH2+]C(C)(C)CC(C)(C)C)c1OC(C)C ZINC000002884271 563461354 /nfs/dbraw/zinc/46/13/54/563461354.db2.gz XMSBRBRZSSUMQD-UHFFFAOYSA-N 1 0 341.923 5.440 50 0 EKAARO C[N@H+](Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CCCCC1 ZINC000002893790 563462393 /nfs/dbraw/zinc/46/23/93/563462393.db2.gz RPYHKYNBJMGYMW-UHFFFAOYSA-N 1 0 331.544 5.752 50 0 EKAARO COc1ccc(CC[C@H](C)[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000002894030 563918660 /nfs/dbraw/zinc/91/86/60/563918660.db2.gz YKFBBRHFWPWXRS-IBGZPJMESA-N 1 0 345.486 5.396 50 0 EKAARO COc1ccc(CC[C@@H](C)[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000002894031 563918689 /nfs/dbraw/zinc/91/86/89/563918689.db2.gz YKFBBRHFWPWXRS-LJQANCHMSA-N 1 0 345.486 5.396 50 0 EKAARO CCCCC[n+]1c(C)n(CCCC)c2cc(Cl)c(Cl)cc21 ZINC000002895884 564152973 /nfs/dbraw/zinc/15/29/73/564152973.db2.gz SWHLOWSYCFVREJ-UHFFFAOYSA-N 1 0 328.307 5.534 50 0 EKAARO Clc1ccc(OCCCCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000002897724 563462462 /nfs/dbraw/zinc/46/24/62/563462462.db2.gz ZAHSEWFFPXLNBG-UHFFFAOYSA-N 1 0 330.299 5.419 50 0 EKAARO CC(C)c1cccc(C(C)C)c1OCCCCC[NH+]1CCCCC1 ZINC000002900993 209939134 /nfs/dbraw/zinc/93/91/34/209939134.db2.gz IZNJBQDUSUETCW-UHFFFAOYSA-N 1 0 331.544 5.968 50 0 EKAARO CC(C)c1cccc(C(C)C)c1OCCCCCC[NH+]1CCCC1 ZINC000002901946 563462747 /nfs/dbraw/zinc/46/27/47/563462747.db2.gz VVOFIECUVDAILE-UHFFFAOYSA-N 1 0 331.544 5.968 50 0 EKAARO CC[NH+](CC)CCCCCCOc1c(C(C)C)cccc1C(C)C ZINC000002902532 209939261 /nfs/dbraw/zinc/93/92/61/209939261.db2.gz NLVZFDDXEMUHAP-UHFFFAOYSA-N 1 0 333.560 6.214 50 0 EKAARO CCn1c2ccccc2c2cc(C[NH2+]Cc3ccccc3OC)ccc21 ZINC000002902646 564117119 /nfs/dbraw/zinc/11/71/19/564117119.db2.gz FIOIJUCPVZEPFX-UHFFFAOYSA-N 1 0 344.458 5.113 50 0 in-vitro EKAARO CC(C)c1cccc(C(C)C)c1OCCCCCC[NH+]1CCCCC1 ZINC000002903731 563462807 /nfs/dbraw/zinc/46/28/07/563462807.db2.gz QPTNACNCPVHNQZ-UHFFFAOYSA-N 1 0 345.571 6.359 50 0 EKAARO CCCC[N@H+](C)Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000002928710 563463952 /nfs/dbraw/zinc/46/39/52/563463952.db2.gz HHXUUZFNRBCSMV-UHFFFAOYSA-N 1 0 337.463 5.649 50 0 EKAARO Cc1cc(Cl)c(OCCCC[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000002956252 563464519 /nfs/dbraw/zinc/46/45/19/563464519.db2.gz AIRRUZGMRQKGJK-UHFFFAOYSA-N 1 0 330.299 5.193 50 0 EKAARO CC1CC[NH+](CCCCOc2c(Cl)ccc3ccccc32)CC1 ZINC000002957913 563464543 /nfs/dbraw/zinc/46/45/43/563464543.db2.gz QHMXWTKXNFKGPO-UHFFFAOYSA-N 1 0 331.887 5.384 50 0 EKAARO C[NH+]1[C@@H](c2ccccc2)CC(O)(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000003082425 563918802 /nfs/dbraw/zinc/91/88/02/563918802.db2.gz MQPSFALRBZMFQW-DHIUTWEWSA-N 1 0 343.470 5.082 50 0 EKAARO C[NH+]1[C@H](c2ccccc2)CC(O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000003082426 563918805 /nfs/dbraw/zinc/91/88/05/563918805.db2.gz MQPSFALRBZMFQW-GOTSBHOMSA-N 1 0 343.470 5.082 50 0 EKAARO FC(F)(F)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000003109306 209965003 /nfs/dbraw/zinc/96/50/03/209965003.db2.gz QRRNVDNMXURPNP-UHFFFAOYSA-N 1 0 333.397 5.160 50 0 EKAARO O=C(CCCC[NH+]1CCCCC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000003114544 563996239 /nfs/dbraw/zinc/99/62/39/563996239.db2.gz JMISALVCVQUCJS-UHFFFAOYSA-N 1 0 333.475 5.097 50 0 EKAARO CC1(C)CCC(C)(C)[NH+]=C(SCc2cccc(C(F)(F)F)c2)N1 ZINC000003126105 563473342 /nfs/dbraw/zinc/47/33/42/563473342.db2.gz BMABFEPTRMRFED-UHFFFAOYSA-N 1 0 344.446 5.235 50 0 EKAARO Cc1cc(C)c(CSC2=[NH+]CCCN2C2CCCCC2)c(C)c1 ZINC000003126525 563473251 /nfs/dbraw/zinc/47/32/51/563473251.db2.gz MMGANTDXGDSMBH-UHFFFAOYSA-N 1 0 330.541 5.239 50 0 EKAARO Cc1cc(C=C2Sc3ccccc3N2C)cc(C)[n+]1-c1ccccc1 ZINC000003178964 564107923 /nfs/dbraw/zinc/10/79/23/564107923.db2.gz HDCNVEMVJVSOGW-UHFFFAOYSA-N 1 0 345.491 5.437 50 0 EKAARO Cc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCCCC3)cc1 ZINC000003189085 564155807 /nfs/dbraw/zinc/15/58/07/564155807.db2.gz YRRZDTZWMJKAAT-UHFFFAOYSA-N 1 0 337.874 5.120 50 0 EKAARO Cc1ccc2nc(-c3ccc(NC4=[NH+]CCCCC4)cc3)sc2c1 ZINC000003242387 564058603 /nfs/dbraw/zinc/05/86/03/564058603.db2.gz FTUZOMUPHXLLBY-UHFFFAOYSA-N 1 0 335.476 5.656 50 0 EKAARO Cc1c(Cl)ccc(OCCCCCC[NH+]2CCC(C)CC2)c1C ZINC000003247023 564156555 /nfs/dbraw/zinc/15/65/55/564156555.db2.gz OXCUPAOUHHTILK-UHFFFAOYSA-N 1 0 337.935 5.628 50 0 EKAARO CCc1cc(OCCCCCC[NH+]2CCC(C)CC2)ccc1Cl ZINC000003247115 564156564 /nfs/dbraw/zinc/15/65/64/564156564.db2.gz YQKWHVPVFHJXNL-UHFFFAOYSA-N 1 0 337.935 5.574 50 0 EKAARO CC[NH+](CC)CCCCCCOc1ccc(Cl)c2ccccc12 ZINC000003310492 210003535 /nfs/dbraw/zinc/00/35/35/210003535.db2.gz ZSPCFWGEZDUFEP-UHFFFAOYSA-N 1 0 333.903 5.774 50 0 EKAARO CCCC[NH2+]CCCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000003460677 210046033 /nfs/dbraw/zinc/04/60/33/210046033.db2.gz LOJSTSRAOMYGLU-UHFFFAOYSA-N 1 0 325.496 5.171 50 0 EKAARO C[C@@H]1CC(=[NH+]C2CCCCC2)Nc2ccccc2N1Cc1ccccc1 ZINC000003671096 210073566 /nfs/dbraw/zinc/07/35/66/210073566.db2.gz GYUWWNGCFSDGRK-GOSISDBHSA-N 1 0 347.506 5.438 50 0 EKAARO C[NH+](C)CC1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1 ZINC000003683918 210072973 /nfs/dbraw/zinc/07/29/73/210072973.db2.gz SLTVLNJKFKLCRM-HSZRJFAPSA-N 1 0 341.454 5.184 50 0 EKAARO CC1(C)c2ccccc2-[n+]2c1cc(-c1ccco1)cc2-c1ccccc1 ZINC000003848440 563489334 /nfs/dbraw/zinc/48/93/34/563489334.db2.gz GDBWSFDKYCRZJD-UHFFFAOYSA-N 1 0 338.430 5.530 50 0 EKAARO c1ccc([C@@H]2CCC[C@@H]2N/C2=[NH+]/CCCCCCCCCCC2)cc1 ZINC000003874172 210082721 /nfs/dbraw/zinc/08/27/21/210082721.db2.gz RTRIXVOSRYRSBP-VXKWHMMOSA-N 1 0 340.555 6.225 50 0 in-vitro EKAARO Cc1cc([C@@H]2CC=C(C)[C@H](c3ccccc3)[NH2+]2)cnc1-c1ccccc1 ZINC000003877679 210082497 /nfs/dbraw/zinc/08/24/97/210082497.db2.gz BFOABBHAZZULHP-LADGPHEKSA-N 1 0 340.470 5.779 50 0 EKAARO Cc1cc([C@H]2CC=C(C)[C@H](c3ccccc3)[NH2+]2)cnc1-c1ccccc1 ZINC000003877680 564159558 /nfs/dbraw/zinc/15/95/58/564159558.db2.gz BFOABBHAZZULHP-ISKFKSNPSA-N 1 0 340.470 5.779 50 0 EKAARO Cc1cc([C@@H]2CC=C(C)[C@@H](c3ccccc3)[NH2+]2)cnc1-c1ccccc1 ZINC000003877681 210081489 /nfs/dbraw/zinc/08/14/89/210081489.db2.gz BFOABBHAZZULHP-UPVQGACJSA-N 1 0 340.470 5.779 50 0 EKAARO Cc1cc([C@H]2CC=C(C)[C@@H](c3ccccc3)[NH2+]2)cnc1-c1ccccc1 ZINC000003877682 210081410 /nfs/dbraw/zinc/08/14/10/210081410.db2.gz BFOABBHAZZULHP-VWNXMTODSA-N 1 0 340.470 5.779 50 0 EKAARO c1cc(C23CC4CC(CC(C4)C2)C3)cc2c3c4n(c12)CC[NH2+][C@@H]4CCC3 ZINC000003877774 564159581 /nfs/dbraw/zinc/15/95/81/564159581.db2.gz SEZWQWWZHCXHBO-FRIJYXMCSA-N 1 0 346.518 5.090 50 0 EKAARO c1cc(C23CC4CC(CC(C4)C2)C3)cc2c3c4n(c12)CC[NH2+][C@H]4CCC3 ZINC000003877776 210082258 /nfs/dbraw/zinc/08/22/58/210082258.db2.gz SEZWQWWZHCXHBO-XBESXDPPSA-N 1 0 346.518 5.090 50 0 EKAARO CN(C)c1ccc(C2=[NH+]N(c3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000003898223 564060325 /nfs/dbraw/zinc/06/03/25/564060325.db2.gz RLZQREWJMDDKOA-QHCPKHFHSA-N 1 0 341.458 5.108 50 0 EKAARO CN(C)c1ccc(C2=[NH+]N(c3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000003898224 210088036 /nfs/dbraw/zinc/08/80/36/210088036.db2.gz RLZQREWJMDDKOA-HSZRJFAPSA-N 1 0 341.458 5.108 50 0 EKAARO c1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccccc3)c2)cc1 ZINC000003898261 201584580 /nfs/dbraw/zinc/58/45/80/201584580.db2.gz WNWXXQTUESDFIN-UHFFFAOYSA-N 1 0 325.456 7.030 50 0 EKAARO CCCCCC1CCC(c2ccc(C(=O)CC[NH+](C)C)cc2)CC1 ZINC000003899106 563491040 /nfs/dbraw/zinc/49/10/40/563491040.db2.gz GZZHQEUVMJDIQE-UHFFFAOYSA-N 1 0 329.528 5.675 50 0 EKAARO CCn1c2ccccc2c2cc(C[NH2+][C@H](C)c3ccccc3)ccc21 ZINC000003926818 210093740 /nfs/dbraw/zinc/09/37/40/210093740.db2.gz JQXJXHOCCOJQTP-QGZVFWFLSA-N 1 0 328.459 5.665 50 0 EKAARO Cc1ccc2[nH+]c3c(c(Nc4cccc(C(F)(F)F)c4)c2c1)CCC3 ZINC000003953530 564159784 /nfs/dbraw/zinc/15/97/84/564159784.db2.gz DPJZXTCYZGJNAI-UHFFFAOYSA-N 1 0 342.364 5.794 50 0 EKAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(C)c3C)c2c1 ZINC000003953593 564159754 /nfs/dbraw/zinc/15/97/54/564159754.db2.gz GIJKKPRZJYXSBD-UHFFFAOYSA-N 1 0 334.419 5.080 50 0 EKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000003996590 518189889 /nfs/dbraw/zinc/18/98/89/518189889.db2.gz CKZSEFSPKWEWQI-YFZSMNHSSA-N 1 0 348.534 5.660 50 0 EKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000003996591 564159932 /nfs/dbraw/zinc/15/99/32/564159932.db2.gz CKZSEFSPKWEWQI-IJBPVIJFSA-N 1 0 348.534 5.660 50 0 EKAARO C[C@H]1CC[C@@H]2c3c(c4ccccc4n3Cc3ccccc3)CC[N@@H+]2C1 ZINC000003999059 564159906 /nfs/dbraw/zinc/15/99/06/564159906.db2.gz MIAAJFLJFWAPKY-HTAPYJJXSA-N 1 0 330.475 5.019 50 0 EKAARO CC(C)Cc1ccc(NC(=[NH2+])[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000003999893 210097480 /nfs/dbraw/zinc/09/74/80/210097480.db2.gz QNVUVIPUIFKGRG-GOSISDBHSA-N 1 0 336.523 6.276 50 0 EKAARO CC(C)Cc1ccc(NC(=[NH2+])[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000003999894 210096873 /nfs/dbraw/zinc/09/68/73/210096873.db2.gz QNVUVIPUIFKGRG-SFHVURJKSA-N 1 0 336.523 6.276 50 0 EKAARO CCCCC[C@@H]1[C@H](O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000004011379 210100184 /nfs/dbraw/zinc/10/01/84/210100184.db2.gz YIBLLNKVEAJJCJ-SSGKUCQKSA-N 1 0 337.507 5.362 50 0 EKAARO c1cc(C23CC4CC(CC(C4)C2)C3)ccc1OCC[NH+]1CCCCC1 ZINC000004012663 210100075 /nfs/dbraw/zinc/10/00/75/210100075.db2.gz JUNUZBBSTIZNNO-UHFFFAOYSA-N 1 0 339.523 5.019 50 0 EKAARO CC(C)[NH2+]C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004023618 564160083 /nfs/dbraw/zinc/16/00/83/564160083.db2.gz HRROJQJBNRGRQT-JKCUGDFGSA-N 1 0 347.587 5.148 50 0 EKAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccco2)c2ccccc2)cc1 ZINC000004029661 210103589 /nfs/dbraw/zinc/10/35/89/210103589.db2.gz VMSYGQHTCFNZBG-QHCPKHFHSA-N 1 0 349.474 5.379 50 0 EKAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccco2)c2ccccc2)cc1 ZINC000004029662 210103261 /nfs/dbraw/zinc/10/32/61/210103261.db2.gz VMSYGQHTCFNZBG-HSZRJFAPSA-N 1 0 349.474 5.379 50 0 EKAARO COc1ccccc1[C@H](CC[NH2+][C@@H](C)c1ccccc1)c1ccco1 ZINC000004064114 210112307 /nfs/dbraw/zinc/11/23/07/210112307.db2.gz BNUYZJKEVMDDRI-PXNSSMCTSA-N 1 0 335.447 5.161 50 0 EKAARO COc1ccccc1[C@H](CC[NH2+][C@H](C)c1ccccc1)c1ccco1 ZINC000004064117 210111459 /nfs/dbraw/zinc/11/14/59/210111459.db2.gz BNUYZJKEVMDDRI-XLIONFOSSA-N 1 0 335.447 5.161 50 0 EKAARO COc1ccccc1[C@@H](CC[NH2+][C@@H](C)c1ccccc1)c1ccco1 ZINC000004064118 210111430 /nfs/dbraw/zinc/11/14/30/210111430.db2.gz BNUYZJKEVMDDRI-FXAWDEMLSA-N 1 0 335.447 5.161 50 0 EKAARO COc1ccccc1[C@@H](CC[NH2+][C@H](C)c1ccccc1)c1ccco1 ZINC000004064119 210111251 /nfs/dbraw/zinc/11/12/51/210111251.db2.gz BNUYZJKEVMDDRI-YLJYHZDGSA-N 1 0 335.447 5.161 50 0 EKAARO C[C@H]([NH2+]CCC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000004072734 210113656 /nfs/dbraw/zinc/11/36/56/210113656.db2.gz SGJIAONRKNJBFZ-SFHVURJKSA-N 1 0 333.450 5.699 50 0 EKAARO C[C@@H]([NH2+]CCC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000004072735 210113288 /nfs/dbraw/zinc/11/32/88/210113288.db2.gz SGJIAONRKNJBFZ-GOSISDBHSA-N 1 0 333.450 5.699 50 0 EKAARO C[C@@H](COc1ccccc1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000004072762 210113330 /nfs/dbraw/zinc/11/33/30/210113330.db2.gz GFWJCFAPTWEPSE-FQEVSTJZSA-N 1 0 345.486 5.266 50 0 EKAARO C[C@H](COc1ccccc1)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000004072763 210112774 /nfs/dbraw/zinc/11/27/74/210112774.db2.gz GFWJCFAPTWEPSE-HXUWFJFHSA-N 1 0 345.486 5.266 50 0 EKAARO CC(C)CC[C@]1(CC[NH2+]Cc2ccccc2)CCO[C@H](C(C)C)C1 ZINC000004073288 210113142 /nfs/dbraw/zinc/11/31/42/210113142.db2.gz TWEHSWBPHIACBO-VXKWHMMOSA-N 1 0 331.544 5.424 50 0 EKAARO CC(C)CC[C@@]1(CC[NH2+]Cc2ccccc2)CCO[C@H](C(C)C)C1 ZINC000004073289 210113823 /nfs/dbraw/zinc/11/38/23/210113823.db2.gz TWEHSWBPHIACBO-FCHUYYIVSA-N 1 0 331.544 5.424 50 0 EKAARO CC(C)CC[C@]1(CC[NH2+]Cc2ccccc2)CCO[C@@H](C(C)C)C1 ZINC000004073290 564061827 /nfs/dbraw/zinc/06/18/27/564061827.db2.gz TWEHSWBPHIACBO-YADHBBJMSA-N 1 0 331.544 5.424 50 0 EKAARO CC(C)CC[C@@]1(CC[NH2+]Cc2ccccc2)CCO[C@@H](C(C)C)C1 ZINC000004073291 210113271 /nfs/dbraw/zinc/11/32/71/210113271.db2.gz TWEHSWBPHIACBO-FGZHOGPDSA-N 1 0 331.544 5.424 50 0 EKAARO COc1ccc(C[NH2+]CC[C@@]2(CCC(C)C)CCOC(C)(C)C2)cc1 ZINC000004073615 210113612 /nfs/dbraw/zinc/11/36/12/210113612.db2.gz XPNODHDIPWQKBB-QFIPXVFZSA-N 1 0 347.543 5.187 50 0 EKAARO COc1ccc(C[NH2+]CC[C@]2(CCC(C)C)CCOC(C)(C)C2)cc1 ZINC000004073616 210113406 /nfs/dbraw/zinc/11/34/06/210113406.db2.gz XPNODHDIPWQKBB-JOCHJYFZSA-N 1 0 347.543 5.187 50 0 EKAARO CC(C)CC[n+]1cc(-c2ccc3ccccc3n2)cc2ccccc21 ZINC000004081514 210114746 /nfs/dbraw/zinc/11/47/46/210114746.db2.gz UTVHKWOEPSNUME-UHFFFAOYSA-N 1 0 327.451 5.389 50 0 EKAARO CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C(C)C ZINC000004084635 563493672 /nfs/dbraw/zinc/49/36/72/563493672.db2.gz VKZWRJPZKYCXEQ-ACESQOTJSA-N 1 0 337.507 5.266 50 0 EKAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccc(OC(C)C)cc1)c1ccco1 ZINC000004085396 210116360 /nfs/dbraw/zinc/11/63/60/210116360.db2.gz NILBKBHOFCDFCE-FQEVSTJZSA-N 1 0 343.511 5.767 50 0 EKAARO CC(C)CC[C@H](CC[NH2+]Cc1ccc(OC(C)C)cc1)c1ccco1 ZINC000004085398 564160439 /nfs/dbraw/zinc/16/04/39/564160439.db2.gz NILBKBHOFCDFCE-HXUWFJFHSA-N 1 0 343.511 5.767 50 0 EKAARO COc1ccccc1[C@@H](CC[NH2+]C/C=C/c1ccccc1)c1ccco1 ZINC000004086470 564160453 /nfs/dbraw/zinc/16/04/53/564160453.db2.gz FLPYFEIQMHIWLA-FTUXVVSKSA-N 1 0 347.458 5.113 50 0 EKAARO COc1ccccc1[C@H](CC[NH2+]C/C=C/c1ccccc1)c1ccco1 ZINC000004086473 564160463 /nfs/dbraw/zinc/16/04/63/564160463.db2.gz FLPYFEIQMHIWLA-AKERNLMBSA-N 1 0 347.458 5.113 50 0 EKAARO CC(C)CC[C@@H](CC[NH+]1Cc2ccccc2C1)[C@@H]1CCOC(C)(C)C1 ZINC000004090126 210118215 /nfs/dbraw/zinc/11/82/15/210118215.db2.gz USBHRYGJIWUWPF-VQTJNVASSA-N 1 0 343.555 5.650 50 0 EKAARO CC(C)CC[C@H](CC[NH+]1Cc2ccccc2C1)[C@@H]1CCOC(C)(C)C1 ZINC000004090127 210118182 /nfs/dbraw/zinc/11/81/82/210118182.db2.gz USBHRYGJIWUWPF-WOJBJXKFSA-N 1 0 343.555 5.650 50 0 EKAARO CC(C)CC[C@@H](CC[NH+]1Cc2ccccc2C1)[C@H]1CCOC(C)(C)C1 ZINC000004090129 210117775 /nfs/dbraw/zinc/11/77/75/210117775.db2.gz USBHRYGJIWUWPF-PMACEKPBSA-N 1 0 343.555 5.650 50 0 EKAARO CC(C)CC[C@H](CC[NH+]1Cc2ccccc2C1)[C@H]1CCOC(C)(C)C1 ZINC000004090130 564160506 /nfs/dbraw/zinc/16/05/06/564160506.db2.gz USBHRYGJIWUWPF-UXHICEINSA-N 1 0 343.555 5.650 50 0 EKAARO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=C[C@@H]1Sc1ccccc1 ZINC000004114367 210122932 /nfs/dbraw/zinc/12/29/32/210122932.db2.gz GLJMCFOFKIFDDN-NRFANRHFSA-N 1 0 348.515 5.499 50 0 EKAARO CCN(CC)C1=[NH+]C=CC(c2ccccc2)=C[C@H]1Sc1ccccc1 ZINC000004114368 210124055 /nfs/dbraw/zinc/12/40/55/210124055.db2.gz GLJMCFOFKIFDDN-OAQYLSRUSA-N 1 0 348.515 5.499 50 0 EKAARO CCCC[NH+](CCCC)CCCOC(=O)Nc1c(C)cccc1C ZINC000004127877 210128034 /nfs/dbraw/zinc/12/80/34/210128034.db2.gz VGSRXFCLDLFNOB-UHFFFAOYSA-N 1 0 334.504 5.144 50 0 EKAARO C[N@@H+]1CCC[C@H](C[C@H]2Oc3ccccc3Sc3ccccc32)C1 ZINC000004128838 210128194 /nfs/dbraw/zinc/12/81/94/210128194.db2.gz ZOXQYFLPDQGMDX-CRAIPNDOSA-N 1 0 325.477 5.003 50 0 EKAARO C[N@@H+]1CCC[C@@H](C[C@H]2Oc3ccccc3Sc3ccccc32)C1 ZINC000004128840 563495628 /nfs/dbraw/zinc/49/56/28/563495628.db2.gz ZOXQYFLPDQGMDX-MAUKXSAKSA-N 1 0 325.477 5.003 50 0 EKAARO CC(C)(C)c1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1 ZINC000004156981 564160958 /nfs/dbraw/zinc/16/09/58/564160958.db2.gz PVQFIFSZNHVHCU-UHFFFAOYSA-N 1 0 347.506 6.043 50 0 EKAARO FC(F)(F)c1cccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000004218220 210146385 /nfs/dbraw/zinc/14/63/85/210146385.db2.gz SHPHDCSCFBKTES-UHFFFAOYSA-N 1 0 333.275 5.014 50 0 EKAARO Cc1[nH]c2ccccc2c1[C@H](c1ccc(C)cc1)[NH+]1CCC(C)CC1 ZINC000004279371 210159585 /nfs/dbraw/zinc/15/95/85/210159585.db2.gz FWHWPZDAJBKAOF-QHCPKHFHSA-N 1 0 332.491 5.606 50 0 EKAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccc(C)cc1)[NH+]1CCC(C)CC1 ZINC000004279372 210159791 /nfs/dbraw/zinc/15/97/91/210159791.db2.gz FWHWPZDAJBKAOF-HSZRJFAPSA-N 1 0 332.491 5.606 50 0 EKAARO COc1ccc2c(c1)-c1c(ssc1=[S+]C(C)=O)C(C)(C)N2 ZINC000004314847 563499756 /nfs/dbraw/zinc/49/97/56/563499756.db2.gz HHJPVQDPOWFUBX-UHFFFAOYSA-N 1 0 338.499 5.066 50 0 EKAARO c1ccc2[nH]c(C3CC[NH+](Cc4cccc5ccccc54)CC3)nc2c1 ZINC000004315213 210167724 /nfs/dbraw/zinc/16/77/24/210167724.db2.gz OTFQEOAEVSUDRG-UHFFFAOYSA-N 1 0 341.458 5.096 50 0 EKAARO COc1ccccc1C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000004321657 563500051 /nfs/dbraw/zinc/50/00/51/563500051.db2.gz GWQBBMQQRFARIX-UHFFFAOYSA-N 1 0 331.459 5.228 50 0 EKAARO COc1ccccc1C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000004321662 210170388 /nfs/dbraw/zinc/17/03/88/210170388.db2.gz SWZOJTTWVCZKTG-UHFFFAOYSA-N 1 0 331.459 5.228 50 0 EKAARO CCc1cc2c(cc1C(=O)CC[NH+]1CCCC1)C(C)(C)CCC2(C)C ZINC000004323717 210170627 /nfs/dbraw/zinc/17/06/27/210170627.db2.gz KJGOYIPIRNNQJA-UHFFFAOYSA-N 1 0 341.539 5.267 50 0 EKAARO CCc1ccc2c(c1)-c1c(ssc1=[S+]C(C)=O)C(C)(C)N2 ZINC000004329514 201597691 /nfs/dbraw/zinc/59/76/91/201597691.db2.gz NPPPFTCFUZWZTJ-UHFFFAOYSA-N 1 0 336.527 5.619 50 0 EKAARO CC[NH+](CC)Cc1oc2ccc(Cl)cc2c1-c1ccc(OC)cc1 ZINC000004350609 210177480 /nfs/dbraw/zinc/17/74/80/210177480.db2.gz ZLTHTRIDKMSGMU-UHFFFAOYSA-N 1 0 343.854 5.604 50 0 EKAARO CCCN(CCC)[PH+](N(CCC)CCC)N(CCC)CCC ZINC000004352558 210177467 /nfs/dbraw/zinc/17/74/67/210177467.db2.gz KPDXRSBWIPGWLS-UHFFFAOYSA-N 1 0 331.529 5.579 50 0 EKAARO CC(C)(C)CC(C)(C)Nc1c(CCc2ccccc2)[nH+]c2ccccn21 ZINC000004382337 210183618 /nfs/dbraw/zinc/18/36/18/210183618.db2.gz BSLGMVGYWKRBOH-UHFFFAOYSA-N 1 0 349.522 5.746 50 0 EKAARO CCCCCc1[nH+]c2c(C)cccn2c1NC(C)(C)CC(C)(C)C ZINC000004382410 563676787 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CC1(C)C[C@@H]([C@H](CC[NH2+]Cc2ccccc2)c2ccccc2)CCO1 ZINC000004535302 210215380 /nfs/dbraw/zinc/21/53/80/210215380.db2.gz YIMXBIWRYAWKDJ-FCHUYYIVSA-N 1 0 337.507 5.155 50 0 EKAARO CC(C)(C)c1ccc(-c2cc(N3CCCCC3)c3ccccc3[nH+]2)cc1 ZINC000004541716 210216379 /nfs/dbraw/zinc/21/63/79/210216379.db2.gz TWNYZGJOGYPFEJ-UHFFFAOYSA-N 1 0 344.502 6.190 50 0 EKAARO CC(C)(C)c1ccc(-c2cc(N3CCOCC3)c3ccccc3[nH+]2)cc1 ZINC000004541717 210216949 /nfs/dbraw/zinc/21/69/49/210216949.db2.gz FNYBNTAJCVOMSO-UHFFFAOYSA-N 1 0 346.474 5.036 50 0 EKAARO CC(C)(C)c1ccc(-c2cc(N3CCCC3)c3ccccc3[nH+]2)cc1 ZINC000004541720 210216337 /nfs/dbraw/zinc/21/63/37/210216337.db2.gz GNNNBBKULVIHKT-UHFFFAOYSA-N 1 0 330.475 5.800 50 0 EKAARO CC(C)(C)c1ccc(-c2cc(NC3CCCC3)c3ccccc3[nH+]2)cc1 ZINC000004541723 210216525 /nfs/dbraw/zinc/21/65/25/210216525.db2.gz WHFCTIRZGICRRF-UHFFFAOYSA-N 1 0 344.502 6.554 50 0 EKAARO CCc1ccc(-c2cc(N3CCC(C)CC3)c3ccccc3[nH+]2)cc1 ZINC000004542546 210218365 /nfs/dbraw/zinc/21/83/65/210218365.db2.gz 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/nfs/dbraw/zinc/21/82/88/210218288.db2.gz KELGJPBOCITEGF-QGZVFWFLSA-N 1 0 330.475 5.843 50 0 EKAARO COc1ccc(-c2cc(N3CCC(C)CC3)c3ccccc3[nH+]2)cc1 ZINC000004542890 210217442 /nfs/dbraw/zinc/21/74/42/210217442.db2.gz VLJZXYQXLYOCAQ-UHFFFAOYSA-N 1 0 332.447 5.147 50 0 EKAARO COc1ccc(-c2cc(N(C(C)C)C(C)C)c3ccccc3[nH+]2)cc1 ZINC000004542892 210217560 /nfs/dbraw/zinc/21/75/60/210217560.db2.gz WWTJEFUDRGQDTB-UHFFFAOYSA-N 1 0 334.463 5.534 50 0 EKAARO CC[n+]1c(/C=C2/C=C(C)CC(C)(C)C2)sc2cc(C)c(C)cc21 ZINC000004547045 210218697 /nfs/dbraw/zinc/21/86/97/210218697.db2.gz DLTIBRALUOQSIA-BOPFTXTBSA-N 1 0 326.529 5.975 50 0 EKAARO COc1ccc2[nH]c(C)c(CC[NH+](CCC(C)C)CCC(C)C)c2c1 ZINC000004622212 210233078 /nfs/dbraw/zinc/23/30/78/210233078.db2.gz JINHOPPIDWTUQL-UHFFFAOYSA-N 1 0 344.543 5.422 50 0 EKAARO c1ccc2c(c1)CCc1ccccc1C2[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000004655723 210238788 /nfs/dbraw/zinc/23/87/88/210238788.db2.gz RJFOVFCXHRHCLY-UHFFFAOYSA-N 1 0 343.514 5.433 50 0 EKAARO Cc1ccccc1[C@@H](OCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000004655746 210238693 /nfs/dbraw/zinc/23/86/93/210238693.db2.gz JPURAYRMIBQZRY-QFIPXVFZSA-N 1 0 325.496 5.220 50 0 EKAARO [NH3+]CC(c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000004655779 210238315 /nfs/dbraw/zinc/23/83/15/210238315.db2.gz KSXSSBWDGVXEAU-UHFFFAOYSA-N 1 0 335.061 5.391 50 0 EKAARO CC(C)(C)c1ccc([C@@H](C[NH3+])c2ccc(Oc3ccccc3)cc2)cc1 ZINC000004655794 564005250 /nfs/dbraw/zinc/00/52/50/564005250.db2.gz YICVKHRPBJBBAL-HSZRJFAPSA-N 1 0 345.486 5.867 50 0 EKAARO CC(C)(C)c1ccc([C@H](C[NH3+])c2ccc(Oc3ccccc3)cc2)cc1 ZINC000004655797 210238341 /nfs/dbraw/zinc/23/83/41/210238341.db2.gz YICVKHRPBJBBAL-QHCPKHFHSA-N 1 0 345.486 5.867 50 0 EKAARO C[C@H]([NH2+]Cc1ccccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000004657440 210240370 /nfs/dbraw/zinc/24/03/70/210240370.db2.gz NLPPMSWNUHXZOP-KRWDZBQOSA-N 1 0 335.422 5.256 50 0 EKAARO C[C@@H]([NH2+]Cc1ccccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000004657442 563506970 /nfs/dbraw/zinc/50/69/70/563506970.db2.gz 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ZINC000004678175 210245358 /nfs/dbraw/zinc/24/53/58/210245358.db2.gz ZVLRLOTYDVPKLP-UHFFFAOYSA-N 1 0 332.234 5.006 50 0 EKAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1ccc(Cl)cc1 ZINC000004678204 563963765 /nfs/dbraw/zinc/96/37/65/563963765.db2.gz KYZOMNJAAVUSOG-UHFFFAOYSA-N 1 0 332.234 5.006 50 0 EKAARO CSc1ccc(CNc2[nH+]cc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000004678233 563963814 /nfs/dbraw/zinc/96/38/14/563963814.db2.gz PNXGRLBXHTYEHS-UHFFFAOYSA-N 1 0 343.883 5.075 50 0 EKAARO CSc1ccc(CNc2[nH+]cc(-c3cccc(Cl)c3)n2C)cc1 ZINC000004678323 210244739 /nfs/dbraw/zinc/24/47/39/210244739.db2.gz BPXZMDJQOVCNDK-UHFFFAOYSA-N 1 0 343.883 5.075 50 0 EKAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1ccc(Cl)c(Cl)c1 ZINC000004678390 210243884 /nfs/dbraw/zinc/24/38/84/210243884.db2.gz ATMUNXPKGFBBBA-UHFFFAOYSA-N 1 0 332.234 5.006 50 0 EKAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(C(F)(F)F)cc3)n2C)cc1 ZINC000004678397 210244707 /nfs/dbraw/zinc/24/47/07/210244707.db2.gz QXTPWTFPRAJIBC-UHFFFAOYSA-N 1 0 345.368 5.026 50 0 EKAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1cccc(Cl)c1Cl ZINC000004678399 563963806 /nfs/dbraw/zinc/96/38/06/563963806.db2.gz CVVAPGYEJRZYQU-UHFFFAOYSA-N 1 0 332.234 5.006 50 0 EKAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1ccc(Cl)cc1 ZINC000004678400 210244859 /nfs/dbraw/zinc/24/48/59/210244859.db2.gz BQMKJPSQFDTRHF-UHFFFAOYSA-N 1 0 332.234 5.006 50 0 EKAARO Cn1c(-c2cccc(Cl)c2)c[nH+]c1NCc1ccccc1Cl ZINC000004678407 210243944 /nfs/dbraw/zinc/24/39/44/210243944.db2.gz JASSSVCVOFGSGA-UHFFFAOYSA-N 1 0 332.234 5.006 50 0 EKAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1cccc(Cl)c1 ZINC000004678456 563963751 /nfs/dbraw/zinc/96/37/51/563963751.db2.gz NAAKVIGRJYHDMM-UHFFFAOYSA-N 1 0 332.234 5.006 50 0 EKAARO CC(C)c1ccc(CNc2[nH+]cc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000004678521 563963841 /nfs/dbraw/zinc/96/38/41/563963841.db2.gz ZKQOBYWXSNINBJ-UHFFFAOYSA-N 1 0 339.870 5.476 50 0 EKAARO Cn1c(-c2ccc(Cl)cc2)c[nH+]c1NCc1ccccc1Cl ZINC000004678569 210245263 /nfs/dbraw/zinc/24/52/63/210245263.db2.gz JQWZIAVMPZPKBS-UHFFFAOYSA-N 1 0 332.234 5.006 50 0 EKAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000004678589 210243955 /nfs/dbraw/zinc/24/39/55/210243955.db2.gz KGFLHWLCNQYJDE-UHFFFAOYSA-N 1 0 346.261 5.314 50 0 EKAARO Cc1ccc(-c2c[nH+]c(NCc3cccc(Cl)c3Cl)n2C)cc1 ZINC000004678601 210245143 /nfs/dbraw/zinc/24/51/43/210245143.db2.gz VHYNGNTZDSSPSP-UHFFFAOYSA-N 1 0 346.261 5.314 50 0 EKAARO CSc1ccc(CNc2[nH+]cc(-c3ccc(C)c(C)c3)n2C)cc1 ZINC000004678883 210243934 /nfs/dbraw/zinc/24/39/34/210243934.db2.gz YGIODDCBJMAQMN-UHFFFAOYSA-N 1 0 337.492 5.038 50 0 EKAARO Cc1ccc(-c2c[nH+]c(NCc3c(F)cccc3Cl)n2C)cc1C ZINC000004678931 563963848 /nfs/dbraw/zinc/96/38/48/563963848.db2.gz FCTDHXNSJLZBCW-UHFFFAOYSA-N 1 0 343.833 5.109 50 0 EKAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(C(C)C)cc3)n2C)cc1C ZINC000004678991 210243777 /nfs/dbraw/zinc/24/37/77/210243777.db2.gz ZMEDWDMFYJWHEB-UHFFFAOYSA-N 1 0 333.479 5.439 50 0 EKAARO Cc1ccc(-c2c[nH+]c(NCc3c(Cl)cccc3Cl)n2C)cc1 ZINC000004679291 210244729 /nfs/dbraw/zinc/24/47/29/210244729.db2.gz JSCHLFAKFRUCMM-UHFFFAOYSA-N 1 0 346.261 5.314 50 0 EKAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1c(Cl)cccc1Cl ZINC000004679294 210244123 /nfs/dbraw/zinc/24/41/23/210244123.db2.gz DZFVTYUQZHFSRG-UHFFFAOYSA-N 1 0 332.234 5.006 50 0 EKAARO CCc1ccc(C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000004680391 210246495 /nfs/dbraw/zinc/24/64/95/210246495.db2.gz WCQOHSRPIHITKB-UHFFFAOYSA-N 1 0 329.487 5.494 50 0 EKAARO C(=C/c1ccccc1)\C[NH+](C/C=C/c1ccccc1)Cc1cccnc1 ZINC000004688462 210247418 /nfs/dbraw/zinc/24/74/18/210247418.db2.gz RHNCAYZLQKAMNH-BVXMOGEKSA-N 1 0 340.470 5.310 50 0 EKAARO CCCC[N@H+](Cc1ccccc1)Cc1c(OC)ccc2ccccc21 ZINC000004695071 210249953 /nfs/dbraw/zinc/24/99/53/210249953.db2.gz NJFQOFYQFFOVPL-UHFFFAOYSA-N 1 0 333.475 5.651 50 0 EKAARO C[C@@H](C[N@H+](CCc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000004695088 563964616 /nfs/dbraw/zinc/96/46/16/563964616.db2.gz VSCYCHSMGVRSAR-NRFANRHFSA-N 1 0 329.487 5.535 50 0 EKAARO C[C@H](C[N@H+](CCc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000004695089 563964596 /nfs/dbraw/zinc/96/45/96/563964596.db2.gz VSCYCHSMGVRSAR-OAQYLSRUSA-N 1 0 329.487 5.535 50 0 EKAARO Cc1ccc(C[NH+](CCc2ccc(Cl)cc2)Cc2ccc(C)o2)o1 ZINC000004699211 210252375 /nfs/dbraw/zinc/25/23/75/210252375.db2.gz NPTBCKUALAIIFN-UHFFFAOYSA-N 1 0 343.854 5.388 50 0 EKAARO COc1ccc2[nH+]c(C)cc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000004748904 210269509 /nfs/dbraw/zinc/26/95/09/210269509.db2.gz VIXCLFBDNBUENV-UHFFFAOYSA-N 1 0 332.325 5.314 50 0 EKAARO CCCCOc1ccc(C[NH2+]CC2(c3ccccc3)CCCC2)cc1 ZINC000004752100 210270426 /nfs/dbraw/zinc/27/04/26/210270426.db2.gz XOUXKTFKPCTBKQ-UHFFFAOYSA-N 1 0 337.507 5.467 50 0 EKAARO [NH3+]C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000004753675 210271275 /nfs/dbraw/zinc/27/12/75/210271275.db2.gz DWEYCNLHXKOZFH-UHFFFAOYSA-N 1 0 335.450 6.069 50 0 EKAARO CCCCCc1[nH+]c2ccc(C)cn2c1NC(C)(C)CC(C)(C)C ZINC000004753966 564066625 /nfs/dbraw/zinc/06/66/25/564066625.db2.gz IRIVMLJXGVOCTP-UHFFFAOYSA-N 1 0 329.532 6.002 50 0 EKAARO C[N@@H+]1CC[C@H](c2ccccc2)[C@H](c2ccccc2)c2ccccc2C1 ZINC000004759646 210272584 /nfs/dbraw/zinc/27/25/84/210272584.db2.gz SNUVBTJYLUPNFL-DNQXCXABSA-N 1 0 327.471 5.438 50 0 EKAARO C[N@@H+]1CC[C@@H](c2ccccc2)[C@H](c2ccccc2)c2ccccc2C1 ZINC000004759649 210272646 /nfs/dbraw/zinc/27/26/46/210272646.db2.gz SNUVBTJYLUPNFL-BJKOFHAPSA-N 1 0 327.471 5.438 50 0 EKAARO CCn1c2ccccc2c2cc(C[NH2+][C@@H](C)c3ccccc3)ccc21 ZINC000004780501 564013896 /nfs/dbraw/zinc/01/38/96/564013896.db2.gz JQXJXHOCCOJQTP-KRWDZBQOSA-N 1 0 328.459 5.665 50 0 EKAARO CCCCC1CCC(c2ccc(-c3cc(F)cc([N+]#N)c3)nc2)CC1 ZINC000004793811 210278707 /nfs/dbraw/zinc/27/87/07/210278707.db2.gz LZTBDJOXWPKCAN-UHFFFAOYSA-N 1 0 338.450 6.836 50 0 EKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2)CC(C)C)c1 ZINC000004796799 210280110 /nfs/dbraw/zinc/28/01/10/210280110.db2.gz BZYONHRKYPRHAZ-UHFFFAOYSA-N 1 0 346.518 5.503 50 0 EKAARO CSc1ccc(C[NH+]2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC000004817068 210286006 /nfs/dbraw/zinc/28/60/06/210286006.db2.gz NSACQXPROWRXTE-UHFFFAOYSA-N 1 0 346.927 5.138 50 0 EKAARO C1=C[N@H+](/C2=C(\N3CCOCC3)CCCCCCCCCC2)CCCC1 ZINC000004823062 210287925 /nfs/dbraw/zinc/28/79/25/210287925.db2.gz UZWXGZJGTKABKP-DQRAZIAOSA-N 1 0 346.559 5.444 50 0 EKAARO Clc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1Cl ZINC000004832320 210290532 /nfs/dbraw/zinc/29/05/32/210290532.db2.gz LAPZKXYCKQBJME-UHFFFAOYSA-N 1 0 334.290 5.448 50 0 EKAARO C[C@H]([NH2+]CC[C@H](c1ccco1)c1ccccc1)c1ccc(Cl)cc1 ZINC000004834772 563984080 /nfs/dbraw/zinc/98/40/80/563984080.db2.gz OQCCEORISKRECA-JXFKEZNVSA-N 1 0 339.866 5.806 50 0 EKAARO C[C@@H]([NH2+]CC[C@H](c1ccco1)c1ccccc1)c1ccc(Cl)cc1 ZINC000004834774 210291895 /nfs/dbraw/zinc/29/18/95/210291895.db2.gz OQCCEORISKRECA-UZLBHIALSA-N 1 0 339.866 5.806 50 0 EKAARO C[C@H]([NH2+]CC[C@@H](c1ccco1)c1ccccc1)c1ccc(Cl)cc1 ZINC000004834776 210292206 /nfs/dbraw/zinc/29/22/06/210292206.db2.gz OQCCEORISKRECA-OXJNMPFZSA-N 1 0 339.866 5.806 50 0 EKAARO C[C@@H]([NH2+]CC[C@@H](c1ccco1)c1ccccc1)c1ccc(Cl)cc1 ZINC000004834777 210292476 /nfs/dbraw/zinc/29/24/76/210292476.db2.gz OQCCEORISKRECA-OXQOHEQNSA-N 1 0 339.866 5.806 50 0 EKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCCCOc2cccc3ccccc32)C1 ZINC000004837102 210293148 /nfs/dbraw/zinc/29/31/48/210293148.db2.gz PURCLIABRYQFOP-BGYRXZFFSA-N 1 0 339.523 5.757 50 0 EKAARO C[C@H]1C[C@H](C)C[NH+](CCCCCCOc2cccc3ccccc32)C1 ZINC000004837103 210293850 /nfs/dbraw/zinc/29/38/50/210293850.db2.gz PURCLIABRYQFOP-PMACEKPBSA-N 1 0 339.523 5.757 50 0 EKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCCCOc2cccc3ccccc32)C1 ZINC000004837105 210293516 /nfs/dbraw/zinc/29/35/16/210293516.db2.gz PURCLIABRYQFOP-WOJBJXKFSA-N 1 0 339.523 5.757 50 0 EKAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1cccs1 ZINC000004842756 210296446 /nfs/dbraw/zinc/29/64/46/210296446.db2.gz GYJUBXOPTBCBKT-UHFFFAOYSA-N 1 0 345.508 5.148 50 0 EKAARO COc1ccc(/C=C/C2=[NH+]c3ccc4ccccc4c3C2(C)C)cc1 ZINC000004844099 210297411 /nfs/dbraw/zinc/29/74/11/210297411.db2.gz FZBDZDCVQRZUAH-XNTDXEJSSA-N 1 0 327.427 5.926 50 0 EKAARO c1ccc(CC2CC[NH+](CCOc3cccc4ccccc43)CC2)cc1 ZINC000004845547 563919039 /nfs/dbraw/zinc/91/90/39/563919039.db2.gz AIHCGBCQLBMFSH-UHFFFAOYSA-N 1 0 345.486 5.173 50 0 EKAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCOc2ccccc2-c2ccccc2)C1 ZINC000004905607 210319575 /nfs/dbraw/zinc/31/95/75/210319575.db2.gz GNLPNVFXWVJWDD-BGYRXZFFSA-N 1 0 337.507 5.491 50 0 EKAARO C[C@H]1C[C@H](C)C[NH+](CCCCOc2ccccc2-c2ccccc2)C1 ZINC000004905609 210318676 /nfs/dbraw/zinc/31/86/76/210318676.db2.gz GNLPNVFXWVJWDD-PMACEKPBSA-N 1 0 337.507 5.491 50 0 EKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCOc2ccccc2-c2ccccc2)C1 ZINC000004905615 564093169 /nfs/dbraw/zinc/09/31/69/564093169.db2.gz GNLPNVFXWVJWDD-WOJBJXKFSA-N 1 0 337.507 5.491 50 0 EKAARO c1c(Nc2c3ccccc3[nH+]c3c2CCCC3)n[nH]c1-c1ccccc1 ZINC000004905667 210319445 /nfs/dbraw/zinc/31/94/45/210319445.db2.gz FXOKFFDPGBVCOU-UHFFFAOYSA-N 1 0 340.430 5.247 50 0 EKAARO Cc1ccc([C@H](CC[NH2+][C@@H](C)c2cccs2)c2ccco2)cc1 ZINC000004909792 210320475 /nfs/dbraw/zinc/32/04/75/210320475.db2.gz JFDCWISCXVUYIG-WMZOPIPTSA-N 1 0 325.477 5.522 50 0 EKAARO Cc1ccc([C@@H](CC[NH2+][C@H](C)c2cccs2)c2ccco2)cc1 ZINC000004909799 563992380 /nfs/dbraw/zinc/99/23/80/563992380.db2.gz JFDCWISCXVUYIG-SJLPKXTDSA-N 1 0 325.477 5.522 50 0 EKAARO Cc1ccc([C@H](CC[NH2+][C@H](C)c2cccs2)c2ccco2)cc1 ZINC000004909806 210321440 /nfs/dbraw/zinc/32/14/40/210321440.db2.gz JFDCWISCXVUYIG-AEFFLSMTSA-N 1 0 325.477 5.522 50 0 EKAARO C[C@@H]1CCC[N@H+](CCCCOc2cccc(Oc3ccccc3)c2)C1 ZINC000004915076 564093167 /nfs/dbraw/zinc/09/31/67/564093167.db2.gz ZTKFGNYPKVEASF-LJQANCHMSA-N 1 0 339.479 5.370 50 0 EKAARO C[C@H]1CCC[N@H+](CCCCOc2cccc(Oc3ccccc3)c2)C1 ZINC000004915082 564093196 /nfs/dbraw/zinc/09/31/96/564093196.db2.gz ZTKFGNYPKVEASF-IBGZPJMESA-N 1 0 339.479 5.370 50 0 EKAARO FC(F)(F)c1cccc(Nc2c3ccccc3[nH+]c3c2CCCC3)c1 ZINC000004922262 210323826 /nfs/dbraw/zinc/32/38/26/210323826.db2.gz YUNDDFSNRWOWKV-UHFFFAOYSA-N 1 0 342.364 5.876 50 0 EKAARO CCOC(=O)c1cccc(Nc2c3ccccc3[nH+]c3c2CCCC3)c1 ZINC000004922362 210324631 /nfs/dbraw/zinc/32/46/31/210324631.db2.gz LYQHTBZRLRGKFE-UHFFFAOYSA-N 1 0 346.430 5.034 50 0 EKAARO C(=C/c1ccc(C[NH+]2CCCCC2)cc1)\c1nc2ccccc2s1 ZINC000004931325 210328210 /nfs/dbraw/zinc/32/82/10/210328210.db2.gz LCXNNLPYYGLLOE-OUKQBFOZSA-N 1 0 334.488 5.453 50 0 EKAARO C[NH+](C)CCNc1cc(-c2ccc3ccccc3c2)nc2ccccc21 ZINC000004947578 564119346 /nfs/dbraw/zinc/11/93/46/564119346.db2.gz BMEXFKHUJAIVFD-UHFFFAOYSA-N 1 0 341.458 5.029 50 0 EKAARO c1ccc(COc2ccccc2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004954813 201628624 /nfs/dbraw/zinc/62/86/24/201628624.db2.gz XFKBVJQHKPASKP-UHFFFAOYSA-N 1 0 347.502 5.324 50 0 EKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccccc2)[C@@H]3CCC1 ZINC000004959777 210340461 /nfs/dbraw/zinc/34/04/61/210340461.db2.gz NZSQNBHONQZHHP-JOCHJYFZSA-N 1 0 330.475 5.233 50 0 EKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccccc2)[C@H]3CCC1 ZINC000004959778 210341073 /nfs/dbraw/zinc/34/10/73/210341073.db2.gz NZSQNBHONQZHHP-QFIPXVFZSA-N 1 0 330.475 5.233 50 0 EKAARO FC(F)(F)c1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000004977593 564013914 /nfs/dbraw/zinc/01/39/14/564013914.db2.gz NYBPAEGZXVJOSU-UHFFFAOYSA-N 1 0 333.397 5.160 50 0 EKAARO FC(F)(F)c1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004978067 210346516 /nfs/dbraw/zinc/34/65/16/210346516.db2.gz BRXZYKPOZIPNNI-UHFFFAOYSA-N 1 0 333.397 5.160 50 0 EKAARO Cc1ccc(C)c(N2CC[NH+](CCC3=C(C)CCCC3(C)C)CC2)c1 ZINC000004980217 563516649 /nfs/dbraw/zinc/51/66/49/563516649.db2.gz SKRFYOIRVHZCPZ-UHFFFAOYSA-N 1 0 340.555 5.342 50 0 EKAARO Cc1ccc(N2CC[NH+](CCC3=C(C)CCCC3(C)C)CC2)cc1 ZINC000004980253 563516588 /nfs/dbraw/zinc/51/65/88/563516588.db2.gz RXCVVBJZTFYZDN-UHFFFAOYSA-N 1 0 326.528 5.034 50 0 EKAARO CC(C)=CCC[C@@H](C)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000004980327 563516672 /nfs/dbraw/zinc/51/66/72/563516672.db2.gz HMJREHKHXDHXIL-GOSISDBHSA-N 1 0 334.935 5.235 50 0 EKAARO CC(C)=CCCCCCC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000004980750 563517137 /nfs/dbraw/zinc/51/71/37/563517137.db2.gz ZBQNIYZTBKEPQP-UHFFFAOYSA-N 1 0 328.544 5.342 50 0 EKAARO Cc1ccc(C)c(N2CC[NH+](C3CCC(C(C)(C)C)CC3)CC2)c1 ZINC000004981236 563517161 /nfs/dbraw/zinc/51/71/61/563517161.db2.gz VUSMAYSHGBFLIO-UHFFFAOYSA-N 1 0 328.544 5.030 50 0 EKAARO CC(C)(C)C1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000004981366 563517468 /nfs/dbraw/zinc/51/74/68/563517468.db2.gz AJANOVIIUBOMPG-UHFFFAOYSA-N 1 0 334.935 5.067 50 0 EKAARO c1ccc(Oc2cccc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)c2)cc1 ZINC000004982450 210348244 /nfs/dbraw/zinc/34/82/44/210348244.db2.gz LCRYMELWTPFVLT-HSZRJFAPSA-N 1 0 344.458 5.601 50 0 EKAARO COc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c2ccccc12 ZINC000004985529 210349745 /nfs/dbraw/zinc/34/97/45/210349745.db2.gz PHGDFUCEZISWMK-UHFFFAOYSA-N 1 0 347.433 5.277 50 0 EKAARO COc1ccc(C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1C ZINC000004987227 210351093 /nfs/dbraw/zinc/35/10/93/210351093.db2.gz BQPNJVLQNMEEGC-UHFFFAOYSA-N 1 0 345.486 5.249 50 0 EKAARO CC[C@@H]1CCCC[N@@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000004987326 210351416 /nfs/dbraw/zinc/35/14/16/210351416.db2.gz ULROMQJNQYTWLK-GOSISDBHSA-N 1 0 329.871 5.897 50 0 EKAARO CC[C@H]1CCCC[N@@H+]1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000004987329 210351042 /nfs/dbraw/zinc/35/10/42/210351042.db2.gz ULROMQJNQYTWLK-SFHVURJKSA-N 1 0 329.871 5.897 50 0 EKAARO CCCC[N@H+](Cc1ccccc1)Cc1cccc(Oc2ccccc2)c1 ZINC000004987636 563517907 /nfs/dbraw/zinc/51/79/07/563517907.db2.gz MKUATVZWQDHCIA-UHFFFAOYSA-N 1 0 345.486 6.281 50 0 EKAARO COc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)c2ccccc12 ZINC000004987793 210351089 /nfs/dbraw/zinc/35/10/89/210351089.db2.gz QMPILHRFUIXXNY-UHFFFAOYSA-N 1 0 345.486 5.303 50 0 EKAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000004988865 563919013 /nfs/dbraw/zinc/91/90/13/563919013.db2.gz PLDWEZLMDNMEPE-HXUWFJFHSA-N 1 0 339.479 5.039 50 0 EKAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000004988866 563919042 /nfs/dbraw/zinc/91/90/42/563919042.db2.gz PLDWEZLMDNMEPE-FQEVSTJZSA-N 1 0 339.479 5.039 50 0 EKAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000004989290 201631624 /nfs/dbraw/zinc/63/16/24/201631624.db2.gz UVHNUCRTVFKTMB-CYBMUJFWSA-N 1 0 338.278 5.113 50 0 EKAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004989348 210350932 /nfs/dbraw/zinc/35/09/32/210350932.db2.gz BLXRGGUYLQLXBJ-IYBDPMFKSA-N 1 0 329.871 5.610 50 0 EKAARO C[C@H]1C[C@H](C)C[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004989349 210350656 /nfs/dbraw/zinc/35/06/56/210350656.db2.gz BLXRGGUYLQLXBJ-HOTGVXAUSA-N 1 0 329.871 5.610 50 0 EKAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004989350 210351174 /nfs/dbraw/zinc/35/11/74/210351174.db2.gz BLXRGGUYLQLXBJ-HZPDHXFCSA-N 1 0 329.871 5.610 50 0 EKAARO Clc1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1Cl ZINC000004990306 210353175 /nfs/dbraw/zinc/35/31/75/210353175.db2.gz ASGQZFVOQQYBNX-UHFFFAOYSA-N 1 0 334.290 5.448 50 0 EKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2ccccc2c1 ZINC000004991164 210352851 /nfs/dbraw/zinc/35/28/51/210352851.db2.gz VWXRQGFUBIUTMD-UHFFFAOYSA-N 1 0 344.458 5.078 50 0 EKAARO c1sc(-c2ccccc2)nc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004991690 563517804 /nfs/dbraw/zinc/51/78/04/563517804.db2.gz DPROETSHFSECCU-UHFFFAOYSA-N 1 0 348.515 5.265 50 0 EKAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OC1CCCC1 ZINC000005027716 210366814 /nfs/dbraw/zinc/36/68/14/210366814.db2.gz RADSJPRCJFJBAC-KRWDZBQOSA-N 1 0 339.479 5.258 50 0 EKAARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OC1CCCC1 ZINC000005027717 210367561 /nfs/dbraw/zinc/36/75/61/210367561.db2.gz RADSJPRCJFJBAC-QGZVFWFLSA-N 1 0 339.479 5.258 50 0 EKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)o1 ZINC000005031785 210369152 /nfs/dbraw/zinc/36/91/52/210369152.db2.gz YLVMPFPAOKYUPV-ZDUSSCGKSA-N 1 0 339.401 5.453 50 0 EKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)o1 ZINC000005031790 210369019 /nfs/dbraw/zinc/36/90/19/210369019.db2.gz SXFQQSCMSZCOGL-CYBMUJFWSA-N 1 0 339.401 5.453 50 0 EKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2ccc(C(F)(F)F)cc2)o1 ZINC000005031793 210368917 /nfs/dbraw/zinc/36/89/17/210368917.db2.gz SXFQQSCMSZCOGL-ZDUSSCGKSA-N 1 0 339.401 5.453 50 0 EKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)o1 ZINC000005031797 563919149 /nfs/dbraw/zinc/91/91/49/563919149.db2.gz NPORLOPTWBLJAH-WMZOPIPTSA-N 1 0 335.491 6.148 50 0 EKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+][C@H](C)c2cccc3ccccc32)o1 ZINC000005031800 563919199 /nfs/dbraw/zinc/91/91/99/563919199.db2.gz NPORLOPTWBLJAH-SJLPKXTDSA-N 1 0 335.491 6.148 50 0 EKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+][C@H](C)c2cccc3ccccc32)o1 ZINC000005031805 563919146 /nfs/dbraw/zinc/91/91/46/563919146.db2.gz NPORLOPTWBLJAH-FUHWJXTLSA-N 1 0 335.491 6.148 50 0 EKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]Cc2ccc(Cl)cc2Cl)o1 ZINC000005031850 210369290 /nfs/dbraw/zinc/36/92/90/210369290.db2.gz XULWZVDQNWGIQG-GFCCVEGCSA-N 1 0 340.294 5.741 50 0 EKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2ccc(Cl)cc2Cl)o1 ZINC000005031856 210369422 /nfs/dbraw/zinc/36/94/22/210369422.db2.gz XULWZVDQNWGIQG-LBPRGKRZSA-N 1 0 340.294 5.741 50 0 EKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]Cc2ccc(Cl)c(Cl)c2)o1 ZINC000005031860 201634982 /nfs/dbraw/zinc/63/49/82/201634982.db2.gz MZRURWRYELJFDS-GFCCVEGCSA-N 1 0 340.294 5.741 50 0 EKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2ccc(Cl)c(Cl)c2)o1 ZINC000005031862 210368621 /nfs/dbraw/zinc/36/86/21/210368621.db2.gz MZRURWRYELJFDS-LBPRGKRZSA-N 1 0 340.294 5.741 50 0 EKAARO Cc1ccc([C@@H](C)CC[N@H+](CCc2ccccc2)Cc2ccccc2)o1 ZINC000005031957 563519324 /nfs/dbraw/zinc/51/93/24/563519324.db2.gz QIHHKWSJFNWJKX-FQEVSTJZSA-N 1 0 347.502 5.827 50 0 EKAARO Cc1ccc([C@H](C)CC[N@H+](CCc2ccccc2)Cc2ccccc2)o1 ZINC000005031966 563519424 /nfs/dbraw/zinc/51/94/24/563519424.db2.gz QIHHKWSJFNWJKX-HXUWFJFHSA-N 1 0 347.502 5.827 50 0 EKAARO COc1cc2c(cc1C[N@@H+]1CCC[C@H](C)C1)oc(C)c2-c1ccccc1 ZINC000005031987 563519373 /nfs/dbraw/zinc/51/93/73/563519373.db2.gz KRKMMZSRMPAPEH-INIZCTEOSA-N 1 0 349.474 5.649 50 0 EKAARO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](C)C1)oc(C)c2-c1ccccc1 ZINC000005031991 210369256 /nfs/dbraw/zinc/36/92/56/210369256.db2.gz KRKMMZSRMPAPEH-MRXNPFEDSA-N 1 0 349.474 5.649 50 0 EKAARO COc1cc2c(cc1C[NH+]1CCCCC1)oc(C)c2-c1ccccc1 ZINC000005032000 210368243 /nfs/dbraw/zinc/36/82/43/210368243.db2.gz VDMQIHQIFYUSBJ-UHFFFAOYSA-N 1 0 335.447 5.403 50 0 EKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccccc2C)[C@@H]3CCC1 ZINC000005032440 210368302 /nfs/dbraw/zinc/36/83/02/210368302.db2.gz MXKBUKGHAVOMCJ-HSZRJFAPSA-N 1 0 344.502 5.541 50 0 EKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccccc2C)[C@H]3CCC1 ZINC000005032442 210368315 /nfs/dbraw/zinc/36/83/15/210368315.db2.gz MXKBUKGHAVOMCJ-QHCPKHFHSA-N 1 0 344.502 5.541 50 0 EKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2cccc(C)c2)[C@H]3CCC1 ZINC000005032446 563519288 /nfs/dbraw/zinc/51/92/88/563519288.db2.gz PTBBRFLEDQEGLD-QHCPKHFHSA-N 1 0 344.502 5.541 50 0 EKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2cccc(C)c2)[C@@H]3CCC1 ZINC000005032449 210369039 /nfs/dbraw/zinc/36/90/39/210369039.db2.gz PTBBRFLEDQEGLD-HSZRJFAPSA-N 1 0 344.502 5.541 50 0 EKAARO Cc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1 ZINC000005032451 210368637 /nfs/dbraw/zinc/36/86/37/210368637.db2.gz QDKLNZWPGOFLHM-QHCPKHFHSA-N 1 0 344.502 5.541 50 0 EKAARO Cc1ccc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1 ZINC000005032454 210368649 /nfs/dbraw/zinc/36/86/49/210368649.db2.gz QDKLNZWPGOFLHM-HSZRJFAPSA-N 1 0 344.502 5.541 50 0 EKAARO C(=C/c1ccc2ccccc2n1)\c1ccc(C[NH+]2CCCCC2)cc1 ZINC000005047023 563519773 /nfs/dbraw/zinc/51/97/73/563519773.db2.gz RVHPZGYPKSZHCM-WYMLVPIESA-N 1 0 328.459 5.391 50 0 EKAARO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000005096030 210388556 /nfs/dbraw/zinc/38/85/56/210388556.db2.gz JDQDZWUZBOMCJG-UHFFFAOYSA-N 1 0 330.475 5.009 50 0 EKAARO Cn1c2ccccc2cc/c1=[NH+]\c1ccc(Oc2ccccc2)cc1 ZINC000005125358 210394216 /nfs/dbraw/zinc/39/42/16/210394216.db2.gz OKMTVOGWOKTADA-GHVJWSGMSA-N 1 0 326.399 5.203 50 0 EKAARO CC(C)CC[C@@H](CC[NH2+]Cc1cccs1)[C@@H]1CCOC(C)(C)C1 ZINC000005205122 564000704 /nfs/dbraw/zinc/00/07/04/564000704.db2.gz ANGFVBLURPTQHP-ZWKOTPCHSA-N 1 0 337.573 5.485 50 0 EKAARO CC(C)CC[C@H](CC[NH2+]Cc1cccs1)[C@@H]1CCOC(C)(C)C1 ZINC000005205123 210412686 /nfs/dbraw/zinc/41/26/86/210412686.db2.gz ANGFVBLURPTQHP-QZTJIDSGSA-N 1 0 337.573 5.485 50 0 EKAARO CC(C)CC[C@@H](CC[NH2+]Cc1cccs1)[C@H]1CCOC(C)(C)C1 ZINC000005205126 210412121 /nfs/dbraw/zinc/41/21/21/210412121.db2.gz ANGFVBLURPTQHP-ROUUACIJSA-N 1 0 337.573 5.485 50 0 EKAARO CC(C)CC[C@H](CC[NH2+]Cc1cccs1)[C@H]1CCOC(C)(C)C1 ZINC000005205128 564000686 /nfs/dbraw/zinc/00/06/86/564000686.db2.gz ANGFVBLURPTQHP-MSOLQXFVSA-N 1 0 337.573 5.485 50 0 EKAARO CC(C)[NH2+]C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000005242693 210422074 /nfs/dbraw/zinc/42/20/74/210422074.db2.gz LWRAMXSFQFAJME-RJGXRXQPSA-N 1 0 327.556 5.818 50 0 EKAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccc(F)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000005245452 564001523 /nfs/dbraw/zinc/00/15/23/564001523.db2.gz GZOWTYROHMHWNF-VQTJNVASSA-N 1 0 349.534 5.563 50 0 EKAARO CC(C)CC[C@H](CC[NH2+]Cc1ccc(F)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000005245456 564001537 /nfs/dbraw/zinc/00/15/37/564001537.db2.gz GZOWTYROHMHWNF-WOJBJXKFSA-N 1 0 349.534 5.563 50 0 EKAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccc(F)cc1)[C@H]1CCOC(C)(C)C1 ZINC000005245459 564001534 /nfs/dbraw/zinc/00/15/34/564001534.db2.gz GZOWTYROHMHWNF-PMACEKPBSA-N 1 0 349.534 5.563 50 0 EKAARO CC(C)CC[C@H](CC[NH2+]Cc1ccc(F)cc1)[C@H]1CCOC(C)(C)C1 ZINC000005245463 564001540 /nfs/dbraw/zinc/00/15/40/564001540.db2.gz GZOWTYROHMHWNF-UXHICEINSA-N 1 0 349.534 5.563 50 0 EKAARO CC(C)(C)c1cc(-c2ccc(C(N)=O)cc2)cc(C(C)(C)C)[s+]1 ZINC000005284233 564075091 /nfs/dbraw/zinc/07/50/91/564075091.db2.gz TVDJSNLTLUOONJ-UHFFFAOYSA-O 1 0 328.501 5.390 50 0 EKAARO COC(=O)c1ccc(-c2cc(C(C)(C)C)[s+]c(C(C)(C)C)c2)cc1 ZINC000005284234 564075096 /nfs/dbraw/zinc/07/50/96/564075096.db2.gz WWRHANBWBBJQRB-UHFFFAOYSA-N 1 0 343.512 6.078 50 0 EKAARO Cc1ccc(C2=C[C@H](c3cccs3)N3c4ccccc4NC3=[NH+]2)cc1 ZINC000005285900 563996452 /nfs/dbraw/zinc/99/64/52/563996452.db2.gz YXJMGGROLUZPJZ-LJQANCHMSA-N 1 0 343.455 5.440 50 0 EKAARO Cc1ccc(C2=C[C@@H](c3cccs3)N3c4ccccc4NC3=[NH+]2)cc1 ZINC000005285901 210432593 /nfs/dbraw/zinc/43/25/93/210432593.db2.gz YXJMGGROLUZPJZ-IBGZPJMESA-N 1 0 343.455 5.440 50 0 EKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccc(F)cc2)(CCC(C)C)CCO1 ZINC000005296943 210435800 /nfs/dbraw/zinc/43/58/00/210435800.db2.gz IJWAMTILPWMMFI-YADHBBJMSA-N 1 0 349.534 5.707 50 0 EKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccc(F)cc2)(CCC(C)C)CCO1 ZINC000005296946 210435572 /nfs/dbraw/zinc/43/55/72/210435572.db2.gz IJWAMTILPWMMFI-VXKWHMMOSA-N 1 0 349.534 5.707 50 0 EKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccc(F)cc2)(CCC(C)C)CCO1 ZINC000005296948 564002410 /nfs/dbraw/zinc/00/24/10/564002410.db2.gz IJWAMTILPWMMFI-FGZHOGPDSA-N 1 0 349.534 5.707 50 0 EKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccc(F)cc2)(CCC(C)C)CCO1 ZINC000005296951 564002399 /nfs/dbraw/zinc/00/23/99/564002399.db2.gz IJWAMTILPWMMFI-FCHUYYIVSA-N 1 0 349.534 5.707 50 0 EKAARO CCCC[C@@H](CC)COCC[NH+](C)CCOC[C@H](CC)CCCC ZINC000005298565 210435640 /nfs/dbraw/zinc/43/56/40/210435640.db2.gz PSIRGZQWZAIUGO-NHCUHLMSSA-N 1 0 343.596 5.384 50 0 EKAARO CCCC[C@@H](CC)COCC[NH2+]CCOC[C@H](CC)CCCC ZINC000005298568 563525682 /nfs/dbraw/zinc/52/56/82/563525682.db2.gz NLFVPFWRZJSSOV-WOJBJXKFSA-N 1 0 329.569 5.042 50 0 EKAARO CCCC[C@@H](CC)C[C@@H](CC)COCC[NH+](CCCC)CCCC ZINC000005298575 563525676 /nfs/dbraw/zinc/52/56/76/563525676.db2.gz ZRONTZLCXUMGMO-FGZHOGPDSA-N 1 0 341.624 6.538 50 0 EKAARO CCCC[C@@H](CC)C[C@H](CC)COCC[NH+](CCCC)CCCC ZINC000005298582 201646183 /nfs/dbraw/zinc/64/61/83/201646183.db2.gz ZRONTZLCXUMGMO-YADHBBJMSA-N 1 0 341.624 6.538 50 0 EKAARO CCCC[C@H](CC)COCC[NH+](C)CCOC[C@@H](CC)CCCC ZINC000005298606 563525611 /nfs/dbraw/zinc/52/56/11/563525611.db2.gz PSIRGZQWZAIUGO-SFTDATJTSA-N 1 0 343.596 5.384 50 0 EKAARO CCCC[C@H](CC)COCC[NH2+]CCOC[C@@H](CC)CCCC ZINC000005298608 563525654 /nfs/dbraw/zinc/52/56/54/563525654.db2.gz NLFVPFWRZJSSOV-PMACEKPBSA-N 1 0 329.569 5.042 50 0 EKAARO CCCC[C@H](CC)C[C@@H](CC)COCC[NH+](CCCC)CCCC ZINC000005298612 563525673 /nfs/dbraw/zinc/52/56/73/563525673.db2.gz ZRONTZLCXUMGMO-FCHUYYIVSA-N 1 0 341.624 6.538 50 0 EKAARO CCCC[C@H](CC)C[C@H](CC)COCC[NH+](CCCC)CCCC ZINC000005298615 563525637 /nfs/dbraw/zinc/52/56/37/563525637.db2.gz ZRONTZLCXUMGMO-VXKWHMMOSA-N 1 0 341.624 6.538 50 0 EKAARO CC(C)CC[C@@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000005323188 564002875 /nfs/dbraw/zinc/00/28/75/564002875.db2.gz NNSCSQWLZUNLPB-WMZOPIPTSA-N 1 0 333.903 6.194 50 0 EKAARO CC(C)CC[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000005323191 564002861 /nfs/dbraw/zinc/00/28/61/564002861.db2.gz NNSCSQWLZUNLPB-FUHWJXTLSA-N 1 0 333.903 6.194 50 0 EKAARO CC(C)CC[C@@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000005323194 564002873 /nfs/dbraw/zinc/00/28/73/564002873.db2.gz NNSCSQWLZUNLPB-AEFFLSMTSA-N 1 0 333.903 6.194 50 0 EKAARO CC(C)CC[C@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)c1ccco1 ZINC000005323195 564002862 /nfs/dbraw/zinc/00/28/62/564002862.db2.gz NNSCSQWLZUNLPB-SJLPKXTDSA-N 1 0 333.903 6.194 50 0 EKAARO CC(C)CC[C@H](CC[NH2+]C1CCC(C)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000005323776 564002593 /nfs/dbraw/zinc/00/25/93/564002593.db2.gz CXPICRZSLAMVRH-JWFWCLOMSA-N 1 0 337.592 5.802 50 0 EKAARO CC(C)CC[C@@H](CC[NH2+]C1CCC(C)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000005323779 564002606 /nfs/dbraw/zinc/00/26/06/564002606.db2.gz CXPICRZSLAMVRH-RKDVLTNBSA-N 1 0 337.592 5.802 50 0 EKAARO CC(C)CC[C@H](CC[NH2+]C1CCC(C)CC1)[C@H]1CCOC(C)(C)C1 ZINC000005323783 564002592 /nfs/dbraw/zinc/00/25/92/564002592.db2.gz CXPICRZSLAMVRH-YZDRJCRTSA-N 1 0 337.592 5.802 50 0 EKAARO CC(C)CC[C@@H](CC[NH2+]C1CCC(C)CC1)[C@H]1CCOC(C)(C)C1 ZINC000005323785 564002621 /nfs/dbraw/zinc/00/26/21/564002621.db2.gz CXPICRZSLAMVRH-OMYXNUHHSA-N 1 0 337.592 5.802 50 0 EKAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc2ccccc21 ZINC000005399851 563531221 /nfs/dbraw/zinc/53/12/21/563531221.db2.gz JTTNQINRMADUSB-UHFFFAOYSA-N 1 0 344.458 5.078 50 0 EKAARO CC(C)CC[C@]1(CC[NH2+]Cc2ccc(F)cc2)CCOC(C)(C)C1 ZINC000005477849 563534293 /nfs/dbraw/zinc/53/42/93/563534293.db2.gz ZFEHHIJUEKZXPM-NRFANRHFSA-N 1 0 335.507 5.317 50 0 EKAARO CC(C)CC[C@@]1(CC[NH2+]Cc2ccc(F)cc2)CCOC(C)(C)C1 ZINC000005477850 563534316 /nfs/dbraw/zinc/53/43/16/563534316.db2.gz ZFEHHIJUEKZXPM-OAQYLSRUSA-N 1 0 335.507 5.317 50 0 EKAARO COc1ccc([C@H](CC[NH2+]Cc2ccc(F)cc2)CCC(C)C)cc1 ZINC000005478172 564004520 /nfs/dbraw/zinc/00/45/20/564004520.db2.gz BCCMXXQUOBKZGJ-FQEVSTJZSA-N 1 0 343.486 5.534 50 0 EKAARO COc1ccc([C@@H](CC[NH2+]Cc2ccc(F)cc2)CCC(C)C)cc1 ZINC000005478173 564004529 /nfs/dbraw/zinc/00/45/29/564004529.db2.gz BCCMXXQUOBKZGJ-HXUWFJFHSA-N 1 0 343.486 5.534 50 0 EKAARO COc1ccc([C@@H](CC[NH2+]C2CCC(C)CC2)CCC(C)C)cc1 ZINC000005478331 210471049 /nfs/dbraw/zinc/47/10/49/210471049.db2.gz YYLVPSGPXHYKBZ-VEDCXYSMSA-N 1 0 331.544 5.773 50 0 EKAARO COc1ccc([C@H](CC[NH2+]C2CCC(C)CC2)CCC(C)C)cc1 ZINC000005478332 564004534 /nfs/dbraw/zinc/00/45/34/564004534.db2.gz YYLVPSGPXHYKBZ-CKHPTIKVSA-N 1 0 331.544 5.773 50 0 EKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccccc2F)(CCC(C)C)CCO1 ZINC000005478743 564004568 /nfs/dbraw/zinc/00/45/68/564004568.db2.gz NXENPVBYWWLXGA-YADHBBJMSA-N 1 0 349.534 5.707 50 0 EKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccccc2F)(CCC(C)C)CCO1 ZINC000005478744 564004556 /nfs/dbraw/zinc/00/45/56/564004556.db2.gz NXENPVBYWWLXGA-VXKWHMMOSA-N 1 0 349.534 5.707 50 0 EKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccccc2F)(CCC(C)C)CCO1 ZINC000005478745 210473530 /nfs/dbraw/zinc/47/35/30/210473530.db2.gz NXENPVBYWWLXGA-FGZHOGPDSA-N 1 0 349.534 5.707 50 0 EKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccccc2F)(CCC(C)C)CCO1 ZINC000005478746 564004549 /nfs/dbraw/zinc/00/45/49/564004549.db2.gz NXENPVBYWWLXGA-FCHUYYIVSA-N 1 0 349.534 5.707 50 0 EKAARO Cc1c([C@@H]2[C@H](CC[NH3+])C2(C)C)c2ccccc2n1Cc1ccccc1 ZINC000005484699 564004662 /nfs/dbraw/zinc/00/46/62/564004662.db2.gz AWKVKJBLCLOXEC-UGKGYDQZSA-N 1 0 332.491 5.086 50 0 EKAARO Cc1c([C@H]2[C@H](CC[NH3+])C2(C)C)c2ccccc2n1Cc1ccccc1 ZINC000005484703 210473440 /nfs/dbraw/zinc/47/34/40/210473440.db2.gz AWKVKJBLCLOXEC-SIKLNZKXSA-N 1 0 332.491 5.086 50 0 EKAARO Cc1c([C@@H]2[C@@H](CC[NH3+])C2(C)C)c2ccccc2n1Cc1ccccc1 ZINC000005484709 564004669 /nfs/dbraw/zinc/00/46/69/564004669.db2.gz AWKVKJBLCLOXEC-KNQAVFIVSA-N 1 0 332.491 5.086 50 0 EKAARO Cc1c([C@H]2[C@@H](CC[NH3+])C2(C)C)c2ccccc2n1Cc1ccccc1 ZINC000005484714 564004679 /nfs/dbraw/zinc/00/46/79/564004679.db2.gz AWKVKJBLCLOXEC-DENIHFKCSA-N 1 0 332.491 5.086 50 0 EKAARO Cc1ccc2[nH+]c(C)cc(Nc3ccc(Oc4ccccc4)cc3)c2c1 ZINC000005485040 564004672 /nfs/dbraw/zinc/00/46/72/564004672.db2.gz UGJRNZWYKRSLSN-UHFFFAOYSA-N 1 0 340.426 6.388 50 0 EKAARO c1csc(-c2nc(-c3ccccc3)cc(-c3ccccc3)[s+]2)c1 ZINC000005490736 564077386 /nfs/dbraw/zinc/07/73/86/564077386.db2.gz QXWXSFOWJQEADT-UHFFFAOYSA-N 1 0 332.473 6.487 50 0 EKAARO CC(C)N(c1c2ccccc2[nH+]c2c1CCc1ccccc1-2)C(C)C ZINC000005498160 563535313 /nfs/dbraw/zinc/53/53/13/563535313.db2.gz DLMPJAPQHGXLSH-UHFFFAOYSA-N 1 0 330.475 5.624 50 0 EKAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccco1)c1ccc(OC(C)C)cc1 ZINC000005499546 210476590 /nfs/dbraw/zinc/47/65/90/210476590.db2.gz OSTOBITVPUJNMT-FQEVSTJZSA-N 1 0 343.511 5.767 50 0 EKAARO CC(C)CC[C@H](CC[NH2+]Cc1ccco1)c1ccc(OC(C)C)cc1 ZINC000005499551 564004768 /nfs/dbraw/zinc/00/47/68/564004768.db2.gz OSTOBITVPUJNMT-HXUWFJFHSA-N 1 0 343.511 5.767 50 0 EKAARO COc1ccc([C@H](CC[NH2+]Cc2ccccc2F)CCC(C)C)cc1 ZINC000005501472 564004846 /nfs/dbraw/zinc/00/48/46/564004846.db2.gz IKBAGCXPDJAYIB-IBGZPJMESA-N 1 0 343.486 5.534 50 0 EKAARO COc1ccc([C@@H](CC[NH2+]Cc2ccccc2F)CCC(C)C)cc1 ZINC000005501477 564004875 /nfs/dbraw/zinc/00/48/75/564004875.db2.gz IKBAGCXPDJAYIB-LJQANCHMSA-N 1 0 343.486 5.534 50 0 EKAARO C[NH2+]CCS[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000005525959 564005007 /nfs/dbraw/zinc/00/50/07/564005007.db2.gz QIXGKOOQAPYTEG-QGZVFWFLSA-N 1 0 335.925 5.041 50 0 EKAARO C[NH2+]CCS[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000005525962 210481779 /nfs/dbraw/zinc/48/17/79/210481779.db2.gz QIXGKOOQAPYTEG-KRWDZBQOSA-N 1 0 335.925 5.041 50 0 EKAARO COc1cc2c(cc1C[NH+]1CCC(C)CC1)oc(C)c2-c1ccccc1 ZINC000005531671 563572439 /nfs/dbraw/zinc/57/24/39/563572439.db2.gz NKNOLKZIFNZAJI-UHFFFAOYSA-N 1 0 349.474 5.649 50 0 EKAARO CCC[N+](CCC)=c1cc(-c2ccccc2)sc(-c2ccccc2)c1 ZINC000005591214 563541858 /nfs/dbraw/zinc/54/18/58/563541858.db2.gz VGOFZCZXSIZCDB-UHFFFAOYSA-N 1 0 348.535 5.674 50 0 EKAARO CCCCOC(=O)c1ccc(Nc2cc(C)[nH+]c3ccccc23)cc1 ZINC000005808063 563551142 /nfs/dbraw/zinc/55/11/42/563551142.db2.gz MUOOMCIFXNCBQV-UHFFFAOYSA-N 1 0 334.419 5.244 50 0 EKAARO CCCCOc1ccc(Nc2cc(C)[nH+]c3ccc(OC)cc23)cc1 ZINC000005808067 563551108 /nfs/dbraw/zinc/55/11/08/563551108.db2.gz KMDFPLCAMNYEJW-UHFFFAOYSA-N 1 0 336.435 5.474 50 0 EKAARO CCCOC(=O)c1ccc(Nc2cc(C)[nH+]c3c(C)cc(C)cc23)cc1 ZINC000005808125 563551128 /nfs/dbraw/zinc/55/11/28/563551128.db2.gz ALAGTVIKWYNGKU-UHFFFAOYSA-N 1 0 348.446 5.470 50 0 EKAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(Cl)c(Cl)c3)c2c1 ZINC000005811816 564053686 /nfs/dbraw/zinc/05/36/86/564053686.db2.gz VHKIKWQDEIQODB-UHFFFAOYSA-N 1 0 331.246 6.210 50 0 EKAARO CCCCOc1ccc(Nc2cc(C)nc3ccc(Cl)cc32)cc1 ZINC000005848934 563552150 /nfs/dbraw/zinc/55/21/50/563552150.db2.gz OGBYWTUNHPMPSN-UHFFFAOYSA-N 1 0 340.854 5.541 50 0 EKAARO [NH3+][C@@H](CCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl ZINC000005889301 564056787 /nfs/dbraw/zinc/05/67/87/564056787.db2.gz IEOMHQGNJFXWNG-HNNXBMFYSA-N 1 0 349.088 5.933 50 0 EKAARO [NH3+][C@H](CCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl ZINC000005889312 564056811 /nfs/dbraw/zinc/05/68/11/564056811.db2.gz IEOMHQGNJFXWNG-OAHLLOKOSA-N 1 0 349.088 5.933 50 0 EKAARO CC(=Cc1nc2ccccc2[nH]1)[NH2+]N(c1ccccc1)c1ccccc1 ZINC000006015794 564057599 /nfs/dbraw/zinc/05/75/99/564057599.db2.gz ICKQKHLHDJOLHK-WUKNDPDISA-N 1 0 340.430 5.267 50 0 EKAARO CCOC(=O)c1cccc(Nc2cc(C)[nH+]c3c(C)cc(C)cc23)c1 ZINC000006026569 563557732 /nfs/dbraw/zinc/55/77/32/563557732.db2.gz YIQDGDRJIVYVCJ-UHFFFAOYSA-N 1 0 334.419 5.080 50 0 EKAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(C)cc3C)c2c1 ZINC000006173865 563560366 /nfs/dbraw/zinc/56/03/66/563560366.db2.gz ZCDJSOIIASIXMH-UHFFFAOYSA-N 1 0 334.419 5.080 50 0 EKAARO C[C@H](CCc1ccc(O)cc1)[NH2+]C1c2ccccc2-c2ccccc21 ZINC000006416365 210631889 /nfs/dbraw/zinc/63/18/89/210631889.db2.gz WWOFNTSGXYPTPL-MRXNPFEDSA-N 1 0 329.443 5.073 50 0 EKAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(Cl)cc3)c2c1 ZINC000006418368 563568124 /nfs/dbraw/zinc/56/81/24/563568124.db2.gz IYVQVYZTKQKBAS-UHFFFAOYSA-N 1 0 340.810 5.117 50 0 EKAARO CSc1ccc(C[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000006508864 201683861 /nfs/dbraw/zinc/68/38/61/201683861.db2.gz SOCRDIJVUQGJSE-UHFFFAOYSA-N 1 0 347.527 5.720 50 0 EKAARO Clc1ccc(C[NH2+]CCCn2ccc3ccccc32)cc1Cl ZINC000006508866 564091209 /nfs/dbraw/zinc/09/12/09/564091209.db2.gz QILJIZRKQVPGHZ-UHFFFAOYSA-N 1 0 333.262 5.128 50 0 EKAARO C[N@@H+]1CCC[C@H](C[C@@H]2Oc3ccccc3Sc3ccccc32)C1 ZINC000006520304 568414869 /nfs/dbraw/zinc/41/48/69/568414869.db2.gz ZOXQYFLPDQGMDX-QAPCUYQASA-N 1 0 325.477 5.003 50 0 EKAARO Cc1cc(OCC[N@@H+]2CCCC[C@@H]2c2cccnc2)cc(C(C)C)c1 ZINC000006624317 564094641 /nfs/dbraw/zinc/09/46/41/564094641.db2.gz WUFWLZQGLYJQJB-JOCHJYFZSA-N 1 0 338.495 5.119 50 0 EKAARO Cc1cc(OCC[N@@H+]2CCCC[C@H]2c2cccnc2)cc(C(C)C)c1 ZINC000006624318 564094591 /nfs/dbraw/zinc/09/45/91/564094591.db2.gz WUFWLZQGLYJQJB-QFIPXVFZSA-N 1 0 338.495 5.119 50 0 EKAARO Cc1ccc(C(C)C)c(OCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000006624330 564094626 /nfs/dbraw/zinc/09/46/26/564094626.db2.gz WXTJRJWXLDFKKS-OAQYLSRUSA-N 1 0 338.495 5.119 50 0 EKAARO Cc1ccc(C(C)C)c(OCC[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000006624331 564094600 /nfs/dbraw/zinc/09/46/00/564094600.db2.gz WXTJRJWXLDFKKS-NRFANRHFSA-N 1 0 338.495 5.119 50 0 EKAARO Cc1ccc(C(C)C)cc1OCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006624440 564094585 /nfs/dbraw/zinc/09/45/85/564094585.db2.gz CLWIQLXJKZBNJC-OAQYLSRUSA-N 1 0 338.495 5.119 50 0 EKAARO Cc1ccc(C(C)C)cc1OCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000006624441 564094597 /nfs/dbraw/zinc/09/45/97/564094597.db2.gz CLWIQLXJKZBNJC-NRFANRHFSA-N 1 0 338.495 5.119 50 0 EKAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccccn1)c1ccc(Cl)cc1 ZINC000006662514 564095608 /nfs/dbraw/zinc/09/56/08/564095608.db2.gz CPGFYXCUVMTLJF-SFHVURJKSA-N 1 0 330.903 5.435 50 0 EKAARO CC(C)CC[C@H](CC[NH2+]Cc1ccccn1)c1ccc(Cl)cc1 ZINC000006662515 564095591 /nfs/dbraw/zinc/09/55/91/564095591.db2.gz CPGFYXCUVMTLJF-GOSISDBHSA-N 1 0 330.903 5.435 50 0 EKAARO CCCCCc1[nH+]c2cc(C)ccn2c1NC(C)(C)CC(C)(C)C ZINC000006663780 564095642 /nfs/dbraw/zinc/09/56/42/564095642.db2.gz YRAKWHLUAGJCSY-UHFFFAOYSA-N 1 0 329.532 6.002 50 0 EKAARO Fc1ccc([C@H](CC[NH2+]Cc2ccco2)c2ccc(Cl)cc2)cc1 ZINC000006669746 564095710 /nfs/dbraw/zinc/09/57/10/564095710.db2.gz RIUPZOQWLIFGHD-HXUWFJFHSA-N 1 0 343.829 5.384 50 0 EKAARO Fc1ccc([C@@H](CC[NH2+]Cc2ccco2)c2ccc(Cl)cc2)cc1 ZINC000006669748 564095728 /nfs/dbraw/zinc/09/57/28/564095728.db2.gz RIUPZOQWLIFGHD-FQEVSTJZSA-N 1 0 343.829 5.384 50 0 EKAARO CC(C)CC[C@@H](CC[NH+]1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000006670226 564095740 /nfs/dbraw/zinc/09/57/40/564095740.db2.gz FCSQRVBHPNDDOS-IBGZPJMESA-N 1 0 341.926 6.266 50 0 EKAARO CC(C)CC[C@H](CC[NH+]1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000006670227 564095738 /nfs/dbraw/zinc/09/57/38/564095738.db2.gz FCSQRVBHPNDDOS-LJQANCHMSA-N 1 0 341.926 6.266 50 0 EKAARO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCC ZINC000006701170 563579737 /nfs/dbraw/zinc/57/97/37/563579737.db2.gz SONHLCYUUKFICH-UHFFFAOYSA-N 1 0 341.923 5.442 50 0 EKAARO c1ccc(SCCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006719043 564096306 /nfs/dbraw/zinc/09/63/06/564096306.db2.gz QIVJJWQDSYMKHS-HXUWFJFHSA-N 1 0 326.509 5.181 50 0 EKAARO c1ccc(SCCCC[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000006719044 564096322 /nfs/dbraw/zinc/09/63/22/564096322.db2.gz QIVJJWQDSYMKHS-FQEVSTJZSA-N 1 0 326.509 5.181 50 0 EKAARO Clc1ccc([C@H](CC[NH+]2CCCC2)Cc2ccccc2Cl)cc1 ZINC000006719473 564096337 /nfs/dbraw/zinc/09/63/37/564096337.db2.gz MGZCZAZMGBLOAX-QGZVFWFLSA-N 1 0 348.317 5.806 50 0 EKAARO Clc1ccc([C@@H](CC[NH+]2CCCC2)Cc2ccccc2Cl)cc1 ZINC000006719474 210690593 /nfs/dbraw/zinc/69/05/93/210690593.db2.gz MGZCZAZMGBLOAX-KRWDZBQOSA-N 1 0 348.317 5.806 50 0 EKAARO Cn1c2ccccc2c(C[NH2+]Cc2ccccc2)c1-c1cccs1 ZINC000006751679 563585240 /nfs/dbraw/zinc/58/52/40/563585240.db2.gz YALCKMSGLPNUBV-UHFFFAOYSA-N 1 0 332.472 5.197 50 0 EKAARO Fc1ccc([C@@H](CC[NH+]2CCCCC2)c2ccc(Cl)cc2)cc1 ZINC000006760438 564097309 /nfs/dbraw/zinc/09/73/09/564097309.db2.gz IXTYKUMHNRUWAI-FQEVSTJZSA-N 1 0 331.862 5.487 50 0 EKAARO Fc1ccc([C@H](CC[NH+]2CCCCC2)c2ccc(Cl)cc2)cc1 ZINC000006760439 564097294 /nfs/dbraw/zinc/09/72/94/564097294.db2.gz IXTYKUMHNRUWAI-HXUWFJFHSA-N 1 0 331.862 5.487 50 0 EKAARO CC(C)[NH2+]C[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 ZINC000006763177 210705493 /nfs/dbraw/zinc/70/54/93/210705493.db2.gz LWRAMXSFQFAJME-VABKMULXSA-N 1 0 327.556 5.818 50 0 EKAARO CC(C)[NH2+]C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 ZINC000006763185 564097345 /nfs/dbraw/zinc/09/73/45/564097345.db2.gz LWRAMXSFQFAJME-XPWALMASSA-N 1 0 327.556 5.818 50 0 EKAARO CC(C)[NH2+]C[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 ZINC000006763190 564097338 /nfs/dbraw/zinc/09/73/38/564097338.db2.gz LWRAMXSFQFAJME-VJBWXMMDSA-N 1 0 327.556 5.818 50 0 EKAARO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000006781432 563586031 /nfs/dbraw/zinc/58/60/31/563586031.db2.gz DKAMILGFOIRGKI-UHFFFAOYSA-N 1 0 338.278 5.461 50 0 EKAARO CCC(C)(C)C1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000006787708 564097793 /nfs/dbraw/zinc/09/77/93/564097793.db2.gz ZKHXBJQFOUUTCQ-UHFFFAOYSA-N 1 0 342.571 5.236 50 0 EKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000006857391 564087235 /nfs/dbraw/zinc/08/72/35/564087235.db2.gz YWCPTMRVMRWECY-UHFFFAOYSA-N 1 0 325.496 5.570 50 0 EKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000006857402 563589011 /nfs/dbraw/zinc/58/90/11/563589011.db2.gz HOBFHOAHPNOHHB-UHFFFAOYSA-N 1 0 337.866 6.044 50 0 EKAARO COc1ccc(-c2ccc(C[NH2+]C(C)(C)CC(C)(C)C)o2)cc1Cl ZINC000006857403 563589033 /nfs/dbraw/zinc/58/90/33/563589033.db2.gz UZMQLGOWEQZNPI-UHFFFAOYSA-N 1 0 349.902 5.913 50 0 EKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000006857418 563588885 /nfs/dbraw/zinc/58/88/85/563588885.db2.gz TUGMVXUKLZYLMM-UHFFFAOYSA-N 1 0 343.486 5.709 50 0 EKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000006857420 564090771 /nfs/dbraw/zinc/09/07/71/564090771.db2.gz GFCLRWXBPSAHHK-UHFFFAOYSA-N 1 0 325.496 5.570 50 0 EKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000006857422 563588907 /nfs/dbraw/zinc/58/89/07/563588907.db2.gz SWLXCHZCXSBFOK-UHFFFAOYSA-N 1 0 343.486 5.709 50 0 EKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000006857438 563588866 /nfs/dbraw/zinc/58/88/66/563588866.db2.gz INUWBOQOZLTKHA-UHFFFAOYSA-N 1 0 343.486 5.709 50 0 EKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000006857440 563588881 /nfs/dbraw/zinc/58/88/81/563588881.db2.gz 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CCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007260994 563597820 /nfs/dbraw/zinc/59/78/20/563597820.db2.gz VTQNAOFUCDBKDR-UHFFFAOYSA-N 1 0 349.877 5.728 50 0 EKAARO CCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000007260997 563597895 /nfs/dbraw/zinc/59/78/95/563597895.db2.gz XTRZZOXMVCPEAQ-UHFFFAOYSA-N 1 0 331.887 5.589 50 0 EKAARO CCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000007261001 563597864 /nfs/dbraw/zinc/59/78/64/563597864.db2.gz IDWHVPHENWXDJX-UHFFFAOYSA-N 1 0 349.877 5.728 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000007261010 563597859 /nfs/dbraw/zinc/59/78/59/563597859.db2.gz DWWSINJLKBXLML-UHFFFAOYSA-N 1 0 341.495 5.253 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000007261012 563597805 /nfs/dbraw/zinc/59/78/05/563597805.db2.gz MBGPZUSTBSRWCE-UHFFFAOYSA-N 1 0 345.458 5.083 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000007261016 563597845 /nfs/dbraw/zinc/59/78/45/563597845.db2.gz BXEMKCTXEOWGGF-UHFFFAOYSA-N 1 0 341.495 5.253 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000007261019 563597868 /nfs/dbraw/zinc/59/78/68/563597868.db2.gz TXDVZQJZANEGIF-UHFFFAOYSA-N 1 0 341.495 5.253 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000007261021 563597796 /nfs/dbraw/zinc/59/77/96/563597796.db2.gz PWHCONTYPVZMCK-UHFFFAOYSA-N 1 0 345.458 5.083 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000007261029 563597849 /nfs/dbraw/zinc/59/78/49/563597849.db2.gz BQONTKSLYPNOCE-UHFFFAOYSA-N 1 0 341.495 5.334 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000007261038 563597840 /nfs/dbraw/zinc/59/78/40/563597840.db2.gz NTWOJABYAYDCQJ-UHFFFAOYSA-N 1 0 331.887 5.589 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000007261040 563597838 /nfs/dbraw/zinc/59/78/38/563597838.db2.gz JNHNZOVPZPLYSD-UHFFFAOYSA-N 1 0 331.887 5.589 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007261048 563598399 /nfs/dbraw/zinc/59/83/99/563598399.db2.gz TWEIGKKEIBPBPD-UHFFFAOYSA-N 1 0 326.267 5.923 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007261049 563598309 /nfs/dbraw/zinc/59/83/09/563598309.db2.gz AXVLNWWQLWDUON-UHFFFAOYSA-N 1 0 326.267 5.923 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000007261052 563598394 /nfs/dbraw/zinc/59/83/94/563598394.db2.gz CHWXHQUDGYZWHL-UHFFFAOYSA-N 1 0 336.273 5.379 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007261059 563598279 /nfs/dbraw/zinc/59/82/79/563598279.db2.gz PFPPHYVZLYSFBY-UHFFFAOYSA-N 1 0 326.267 5.923 50 0 EKAARO CCCCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000007261067 563598402 /nfs/dbraw/zinc/59/84/02/563598402.db2.gz PCCYHDAGILDIBB-UHFFFAOYSA-N 1 0 331.887 5.589 50 0 EKAARO CCCCCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000007261070 563598274 /nfs/dbraw/zinc/59/82/74/563598274.db2.gz WFGBHBKVLYTPLX-UHFFFAOYSA-N 1 0 331.887 5.589 50 0 EKAARO CCCCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000007261077 563598337 /nfs/dbraw/zinc/59/83/37/563598337.db2.gz OGHZTJZSKMIGSJ-UHFFFAOYSA-N 1 0 345.458 5.083 50 0 EKAARO 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/nfs/dbraw/zinc/60/55/96/563605596.db2.gz LWKXNVQJDJOBQC-UHFFFAOYSA-N 1 0 335.850 5.942 50 0 EKAARO Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 ZINC000007539899 563605619 /nfs/dbraw/zinc/60/56/19/563605619.db2.gz VFKPOPJYIOSJQH-UHFFFAOYSA-N 1 0 329.802 5.337 50 0 EKAARO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 ZINC000007539902 563605468 /nfs/dbraw/zinc/60/54/68/563605468.db2.gz NJPPLNIOUZMQDF-UHFFFAOYSA-N 1 0 345.801 5.038 50 0 EKAARO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000007813812 210851870 /nfs/dbraw/zinc/85/18/70/210851870.db2.gz TVHQVHWADWPAQA-NRFANRHFSA-N 1 0 337.850 5.228 50 0 EKAARO c1ccc2oc(CN3CCCC[C@@H]3c3nc4ccccc4s3)nc2c1 ZINC000008005163 564162079 /nfs/dbraw/zinc/16/20/79/564162079.db2.gz GXVZOGNZUSUTQF-MRXNPFEDSA-N 1 0 349.459 5.165 50 0 EKAARO c1ccc2oc(CN3CCCC[C@H]3c3nc4ccccc4s3)nc2c1 ZINC000008005165 564162071 /nfs/dbraw/zinc/16/20/71/564162071.db2.gz GXVZOGNZUSUTQF-INIZCTEOSA-N 1 0 349.459 5.165 50 0 EKAARO FC(F)(F)c1cccc(C[NH2+]C2c3ccccc3-c3ccccc32)c1 ZINC000008038434 564162322 /nfs/dbraw/zinc/16/23/22/564162322.db2.gz ZNIKWVGZEZZLHA-UHFFFAOYSA-N 1 0 339.360 5.565 50 0 EKAARO CC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000008227107 564016011 /nfs/dbraw/zinc/01/60/11/564016011.db2.gz YBMHKFCYGKAPGF-UHFFFAOYSA-N 1 0 325.839 5.182 50 0 EKAARO CC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000008227114 564016028 /nfs/dbraw/zinc/01/60/28/564016028.db2.gz WWABZNKEEWZCFX-UHFFFAOYSA-N 1 0 325.839 5.182 50 0 EKAARO CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008227222 564016015 /nfs/dbraw/zinc/01/60/15/564016015.db2.gz IWEKDRHRFCHYAW-UHFFFAOYSA-N 1 0 344.669 5.335 50 0 EKAARO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCC ZINC000008253874 210920295 /nfs/dbraw/zinc/92/02/95/210920295.db2.gz LRJQVAGESQEGFC-UHFFFAOYSA-N 1 0 339.907 5.340 50 0 EKAARO CCOc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccccc1 ZINC000008254055 563624778 /nfs/dbraw/zinc/62/47/78/563624778.db2.gz NATZZFTYEASNLW-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000008254504 564016000 /nfs/dbraw/zinc/01/60/00/564016000.db2.gz RGKQJHMFKLIKLE-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO CCOc1cc(C[NH2+]CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000008254518 564015993 /nfs/dbraw/zinc/01/59/93/564015993.db2.gz PMHOWLUIYVNNKL-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccccc1 ZINC000008254613 210920783 /nfs/dbraw/zinc/92/07/83/210920783.db2.gz NQICODJRYSDKOH-UHFFFAOYSA-N 1 0 339.479 5.087 50 0 EKAARO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccccc1Cl ZINC000008254673 564016020 /nfs/dbraw/zinc/01/60/20/564016020.db2.gz CZWIUHVJYRYBGW-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO CCOc1cc(C[NH2+]CC(C)C)ccc1OCc1ccccc1Cl ZINC000008254680 564016027 /nfs/dbraw/zinc/01/60/27/564016027.db2.gz QGGWCYLUSKWBPX-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO CCOc1ccc(Cl)cc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000008324486 563626130 /nfs/dbraw/zinc/62/61/30/563626130.db2.gz JRRNILBJWSZGFJ-LVBDODCMSA-N 1 0 347.930 5.577 50 0 EKAARO CCOc1ccc2ccccc2c1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000008325059 563626449 /nfs/dbraw/zinc/62/64/49/563626449.db2.gz MYIBFOZNFJSTAY-UHFFFAOYSA-N 1 0 335.491 5.297 50 0 EKAARO CCOc1ccc2ccccc2c1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000008325061 201744471 /nfs/dbraw/zinc/74/44/71/201744471.db2.gz JUGLIJKLPXTQNU-UHFFFAOYSA-N 1 0 335.491 5.153 50 0 EKAARO CCOc1ccc2ccccc2c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000008325116 563626485 /nfs/dbraw/zinc/62/64/85/563626485.db2.gz YOQMLWVPIVVLLE-UHFFFAOYSA-N 1 0 344.458 5.052 50 0 EKAARO CCOc1ccc2ccccc2c1C[NH2+]Cc1ccccc1Cl ZINC000008325142 563626565 /nfs/dbraw/zinc/62/65/65/563626565.db2.gz JRPWOHDFLJNDFR-UHFFFAOYSA-N 1 0 325.839 5.182 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008325867 563626437 /nfs/dbraw/zinc/62/64/37/563626437.db2.gz JUHCHRPUARMIBO-MRXNPFEDSA-N 1 0 337.438 5.446 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000008325872 563626546 /nfs/dbraw/zinc/62/65/46/563626546.db2.gz ZGLJVVAYNQPLJZ-MRXNPFEDSA-N 1 0 337.438 5.446 50 0 EKAARO CCOc1cc(C[NH2+][C@H](C)CC)cc(Cl)c1OCc1ccccc1 ZINC000008325910 563626493 /nfs/dbraw/zinc/62/64/93/563626493.db2.gz MRHBYLWYUOAWKM-OAHLLOKOSA-N 1 0 347.886 5.206 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008325927 563626538 /nfs/dbraw/zinc/62/65/38/563626538.db2.gz MVGKFKOUHPCARW-CYBMUJFWSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008325942 563626529 /nfs/dbraw/zinc/62/65/29/563626529.db2.gz SFWPQEVIBSKKPW-CYBMUJFWSA-N 1 0 338.278 5.461 50 0 EKAARO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCc1ccc(Cl)cc1 ZINC000008325983 563626459 /nfs/dbraw/zinc/62/64/59/563626459.db2.gz KMPQKPSYQYNBIQ-OAHLLOKOSA-N 1 0 347.886 5.206 50 0 EKAARO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCc1ccccc1Cl ZINC000008325987 563626513 /nfs/dbraw/zinc/62/65/13/563626513.db2.gz BGEKYUNVVRDAMO-OAHLLOKOSA-N 1 0 347.886 5.206 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008325995 210936543 /nfs/dbraw/zinc/93/65/43/210936543.db2.gz NRYBGGQKSXBBQF-CYBMUJFWSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008326017 210936516 /nfs/dbraw/zinc/93/65/16/210936516.db2.gz ZXQQQZKOOMMFSC-CYBMUJFWSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008326041 563626517 /nfs/dbraw/zinc/62/65/17/563626517.db2.gz CNHDWLXDMZUQLE-CYBMUJFWSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@H](C)[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008326618 563626791 /nfs/dbraw/zinc/62/67/91/563626791.db2.gz JUHCHRPUARMIBO-INIZCTEOSA-N 1 0 337.438 5.446 50 0 EKAARO CC[C@H](C)[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000008326625 563626797 /nfs/dbraw/zinc/62/67/97/563626797.db2.gz ZGLJVVAYNQPLJZ-INIZCTEOSA-N 1 0 337.438 5.446 50 0 EKAARO CCOc1cc(C[NH2+][C@@H](C)CC)cc(Cl)c1OCc1ccccc1 ZINC000008326667 563626851 /nfs/dbraw/zinc/62/68/51/563626851.db2.gz MRHBYLWYUOAWKM-HNNXBMFYSA-N 1 0 347.886 5.206 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008326689 563626817 /nfs/dbraw/zinc/62/68/17/563626817.db2.gz MVGKFKOUHPCARW-ZDUSSCGKSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008326698 563626801 /nfs/dbraw/zinc/62/68/01/563626801.db2.gz SFWPQEVIBSKKPW-ZDUSSCGKSA-N 1 0 338.278 5.461 50 0 EKAARO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCc1ccc(Cl)cc1 ZINC000008326730 201745409 /nfs/dbraw/zinc/74/54/09/201745409.db2.gz KMPQKPSYQYNBIQ-HNNXBMFYSA-N 1 0 347.886 5.206 50 0 EKAARO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCc1ccccc1Cl ZINC000008326736 563626905 /nfs/dbraw/zinc/62/69/05/563626905.db2.gz BGEKYUNVVRDAMO-HNNXBMFYSA-N 1 0 347.886 5.206 50 0 EKAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008326748 563626925 /nfs/dbraw/zinc/62/69/25/563626925.db2.gz NRYBGGQKSXBBQF-ZDUSSCGKSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008326767 563626757 /nfs/dbraw/zinc/62/67/57/563626757.db2.gz ZXQQQZKOOMMFSC-ZDUSSCGKSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@H](C)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008326793 563626923 /nfs/dbraw/zinc/62/69/23/563626923.db2.gz CNHDWLXDMZUQLE-ZDUSSCGKSA-N 1 0 338.278 5.461 50 0 EKAARO C[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008377307 564016162 /nfs/dbraw/zinc/01/61/62/564016162.db2.gz LJGFOTJTNDNHNV-UHFFFAOYSA-N 1 0 346.257 5.445 50 0 EKAARO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc2c(c1)CCCC2 ZINC000008395601 564165081 /nfs/dbraw/zinc/16/50/81/564165081.db2.gz JMDGNEGWOURLQJ-AWEZNQCLSA-N 1 0 331.406 5.018 50 0 EKAARO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc2c(c1)CCCC2 ZINC000008395602 564165106 /nfs/dbraw/zinc/16/51/06/564165106.db2.gz JMDGNEGWOURLQJ-CQSZACIVSA-N 1 0 331.406 5.018 50 0 EKAARO CC[C@H]([NH2+]Cc1cc(C)c(OC(F)F)c(C)c1)c1ccc(OC)cc1 ZINC000008395604 564165083 /nfs/dbraw/zinc/16/50/83/564165083.db2.gz SLCALPRZNJNJMM-SFHVURJKSA-N 1 0 349.421 5.154 50 0 EKAARO CC[C@@H]([NH2+]Cc1cc(C)c(OC(F)F)c(C)c1)c1ccc(OC)cc1 ZINC000008395605 564165109 /nfs/dbraw/zinc/16/51/09/564165109.db2.gz SLCALPRZNJNJMM-GOSISDBHSA-N 1 0 349.421 5.154 50 0 EKAARO Clc1ccc2nc(Nc3cc[nH+]cc3)nc(-c3ccccc3)c2c1 ZINC000008436357 564165293 /nfs/dbraw/zinc/16/52/93/564165293.db2.gz OIEXACFQFYAQGJ-UHFFFAOYSA-N 1 0 332.794 5.089 50 0 EKAARO COc1c(Cl)cc(Cl)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000008469560 563630801 /nfs/dbraw/zinc/63/08/01/563630801.db2.gz XYTVALATUKSJGZ-UHFFFAOYSA-N 1 0 340.294 5.060 50 0 EKAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccccc1 ZINC000008471982 210956422 /nfs/dbraw/zinc/95/64/22/210956422.db2.gz XMLUOUWVUOJVSB-UHFFFAOYSA-N 1 0 339.479 5.087 50 0 EKAARO COc1cccc(C[NH2+]C2CCCCCC2)c1OCc1ccccc1 ZINC000008495489 563631181 /nfs/dbraw/zinc/63/11/81/563631181.db2.gz WAVHLEWPOUHTFO-UHFFFAOYSA-N 1 0 339.479 5.087 50 0 EKAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccccc1 ZINC000008534254 201752579 /nfs/dbraw/zinc/75/25/79/201752579.db2.gz HNNNTKYRBRTFBM-SFHVURJKSA-N 1 0 347.458 5.125 50 0 EKAARO C[C@H]([NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 ZINC000008534269 210961894 /nfs/dbraw/zinc/96/18/94/210961894.db2.gz QNHAMJJIUXRENQ-KRWDZBQOSA-N 1 0 335.422 5.256 50 0 EKAARO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2F)c1)c1ccccc1 ZINC000008534273 563631895 /nfs/dbraw/zinc/63/18/95/563631895.db2.gz GJNPHBCKDQEVMI-KRWDZBQOSA-N 1 0 335.422 5.256 50 0 EKAARO C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1F)c1ccccc1 ZINC000008534284 563631873 /nfs/dbraw/zinc/63/18/73/563631873.db2.gz DXJSZAXWPADJGU-KRWDZBQOSA-N 1 0 335.422 5.256 50 0 EKAARO C[C@]12CC3CC([NH2+]Cc4c(Cl)cccc4Cl)(C1)C[C@@](C)(C3)C2 ZINC000008534498 564016326 /nfs/dbraw/zinc/01/63/26/564016326.db2.gz WUTIHQJDZZYXJW-DFDFAMMDSA-N 1 0 338.322 5.832 50 0 EKAARO COc1ccc2ccccc2c1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000008534500 563631899 /nfs/dbraw/zinc/63/18/99/563631899.db2.gz MAIZXEJVYXLDKK-MDQWUCQQSA-N 1 0 349.518 5.687 50 0 EKAARO C[C@]12CC3CC([NH2+]Cc4ccc(Cl)c(Cl)c4)(C1)C[C@@](C)(C3)C2 ZINC000008534513 564016311 /nfs/dbraw/zinc/01/63/11/564016311.db2.gz ZYNSAPBSCLNIPB-KOCGSPDRSA-N 1 0 338.322 5.832 50 0 EKAARO C[C@]12CC3CC([NH2+]Cc4ccc(Br)cc4)(C1)C[C@@](C)(C3)C2 ZINC000008534522 201752374 /nfs/dbraw/zinc/75/23/74/201752374.db2.gz JRRQGSZXSFNCGG-AFGAAMFOSA-N 1 0 348.328 5.288 50 0 EKAARO C[C@]12CC3CC([NH2+]Cc4ccc(-c5ccccc5)cc4)(C1)C[C@@](C)(C3)C2 ZINC000008534533 563631906 /nfs/dbraw/zinc/63/19/06/563631906.db2.gz CFBSWWGXTKFDHQ-CDRNTZKQSA-N 1 0 345.530 6.192 50 0 EKAARO C[C@]12CC3CC([NH2+]Cc4ccc(Cl)cc4Cl)(C1)C[C@@](C)(C3)C2 ZINC000008534534 206530915 /nfs/dbraw/zinc/53/09/15/206530915.db2.gz CMGBIGODXSPXDJ-DFDFAMMDSA-N 1 0 338.322 5.832 50 0 EKAARO C[C@]12CC3CC([NH2+]Cc4cccc(Br)c4)(C1)C[C@@](C)(C3)C2 ZINC000008534537 210961747 /nfs/dbraw/zinc/96/17/47/210961747.db2.gz ARWDGAGBOAFEDY-AFGAAMFOSA-N 1 0 348.328 5.288 50 0 EKAARO C[C@]12CC3CC([NH2+]Cc4cccc(Cl)c4Cl)(C1)C[C@@](C)(C3)C2 ZINC000008534546 564016318 /nfs/dbraw/zinc/01/63/18/564016318.db2.gz FIVUKKUNSMGTEM-DFDFAMMDSA-N 1 0 338.322 5.832 50 0 EKAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1ccccc1 ZINC000008535326 563631919 /nfs/dbraw/zinc/63/19/19/563631919.db2.gz HNNNTKYRBRTFBM-GOSISDBHSA-N 1 0 347.458 5.125 50 0 EKAARO C[C@@H]([NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 ZINC000008535339 563631901 /nfs/dbraw/zinc/63/19/01/563631901.db2.gz QNHAMJJIUXRENQ-QGZVFWFLSA-N 1 0 335.422 5.256 50 0 EKAARO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2F)c1)c1ccccc1 ZINC000008535343 563631934 /nfs/dbraw/zinc/63/19/34/563631934.db2.gz GJNPHBCKDQEVMI-QGZVFWFLSA-N 1 0 335.422 5.256 50 0 EKAARO C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1F)c1ccccc1 ZINC000008535354 563631924 /nfs/dbraw/zinc/63/19/24/563631924.db2.gz DXJSZAXWPADJGU-QGZVFWFLSA-N 1 0 335.422 5.256 50 0 EKAARO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc(C)cc1 ZINC000008550128 563632378 /nfs/dbraw/zinc/63/23/78/563632378.db2.gz BQVLLHIZVLBNEE-UHFFFAOYSA-N 1 0 339.479 5.005 50 0 EKAARO Cc1ccc2[nH]c(-c3ccccc3)c(C[N@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008571831 210966586 /nfs/dbraw/zinc/96/65/86/210966586.db2.gz LSWXHDYETMSIEK-KRWDZBQOSA-N 1 0 346.474 5.148 50 0 EKAARO Cc1ccc2[nH]c(-c3ccccc3)c(C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000008571846 564165748 /nfs/dbraw/zinc/16/57/48/564165748.db2.gz MRMPLSGNGZZRNV-UHFFFAOYSA-N 1 0 346.474 5.148 50 0 EKAARO Cc1ccc2[nH]c(-c3ccccc3)c(C[N@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008571856 564165760 /nfs/dbraw/zinc/16/57/60/564165760.db2.gz SKWXTJAZIJGIST-KRWDZBQOSA-N 1 0 346.474 5.290 50 0 EKAARO CCCC[N@H+](C)Cc1c(=O)c2cc(C)ccc2[nH]c1-c1ccccc1 ZINC000008572493 564165790 /nfs/dbraw/zinc/16/57/90/564165790.db2.gz BSILPEPYIBGTGY-UHFFFAOYSA-N 1 0 334.463 5.148 50 0 EKAARO CCCCc1ccc2[nH]c(C)c(C[N@H+](C)Cc3ccccc3)c(=O)c2c1 ZINC000008572510 564165763 /nfs/dbraw/zinc/16/57/63/564165763.db2.gz NRYHFQRWVWBXTI-UHFFFAOYSA-N 1 0 348.490 5.223 50 0 EKAARO Cc1ccc2[nH]c(-c3ccccc3)c(C[N@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008572583 564165784 /nfs/dbraw/zinc/16/57/84/564165784.db2.gz LSWXHDYETMSIEK-QGZVFWFLSA-N 1 0 346.474 5.148 50 0 EKAARO Cc1ccc2[nH]c(-c3ccccc3)c(C[N@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008572604 564165767 /nfs/dbraw/zinc/16/57/67/564165767.db2.gz SKWXTJAZIJGIST-QGZVFWFLSA-N 1 0 346.474 5.290 50 0 EKAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008714059 564166659 /nfs/dbraw/zinc/16/66/59/564166659.db2.gz JKDQBRMDIQIRKG-UHFFFAOYSA-N 1 0 328.500 5.268 50 0 EKAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(CC)cc2c1=O ZINC000008714067 210988173 /nfs/dbraw/zinc/98/81/73/210988173.db2.gz CZGNEBQKHRTZFS-UHFFFAOYSA-N 1 0 328.500 5.213 50 0 EKAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2c(C)cc(C)cc2c1=O ZINC000008714103 564166674 /nfs/dbraw/zinc/16/66/74/564166674.db2.gz VENUXVDFYHFXPL-UHFFFAOYSA-N 1 0 328.500 5.268 50 0 EKAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2c(CC)cccc2c1=O ZINC000008714172 564166667 /nfs/dbraw/zinc/16/66/67/564166667.db2.gz SYHOZHJACAEQHH-UHFFFAOYSA-N 1 0 328.500 5.213 50 0 EKAARO Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1C[NH+]1CCCCC1 ZINC000008717147 564166748 /nfs/dbraw/zinc/16/67/48/564166748.db2.gz DOTQPZHEKOUDPE-UHFFFAOYSA-N 1 0 348.446 5.027 50 0 EKAARO CCCCc1ccc2[nH]c(C)c(C[NH+](CCC)CCC)c(=O)c2c1 ZINC000008717211 564166759 /nfs/dbraw/zinc/16/67/59/564166759.db2.gz FKGUFPWBSFYNLK-UHFFFAOYSA-N 1 0 328.500 5.213 50 0 EKAARO CCCCc1ccc2[nH]c(C)c(C[N@@H+](CC)CCCC)c(=O)c2c1 ZINC000008717213 564166753 /nfs/dbraw/zinc/16/67/53/564166753.db2.gz JLRMCMXNFJHMGX-UHFFFAOYSA-N 1 0 328.500 5.213 50 0 EKAARO CCCCc1ccc2[nH]c(C)c(C[N@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008717222 564166729 /nfs/dbraw/zinc/16/67/29/564166729.db2.gz JXKGISUCXZFHKQ-UHFFFAOYSA-N 1 0 340.511 5.356 50 0 EKAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717404 564166825 /nfs/dbraw/zinc/16/68/25/564166825.db2.gz NLYQGDXQBDQERU-UHFFFAOYSA-N 1 0 328.500 5.268 50 0 EKAARO Clc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000008731143 210993530 /nfs/dbraw/zinc/99/35/30/210993530.db2.gz BPYBLLLHGLPUOF-UHFFFAOYSA-N 1 0 335.278 5.070 50 0 EKAARO Clc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000008731146 564167077 /nfs/dbraw/zinc/16/70/77/564167077.db2.gz HZCYTQCPVNIIKJ-UHFFFAOYSA-N 1 0 335.278 5.070 50 0 EKAARO Clc1cccc(OCCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000008741388 564167183 /nfs/dbraw/zinc/16/71/83/564167183.db2.gz BXHIKLRXOQBEEH-HXUWFJFHSA-N 1 0 344.886 5.121 50 0 EKAARO Clc1cccc(OCCCC[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000008741389 564167162 /nfs/dbraw/zinc/16/71/62/564167162.db2.gz BXHIKLRXOQBEEH-FQEVSTJZSA-N 1 0 344.886 5.121 50 0 EKAARO CC(=O)Nc1ccc(C[NH2+][C@@H](c2ccc(C(C)C)cc2)C(C)C)cc1 ZINC000008880146 211014520 /nfs/dbraw/zinc/01/45/20/211014520.db2.gz XWIDAUZAKYXZPF-JOCHJYFZSA-N 1 0 338.495 5.255 50 0 EKAARO CC(=O)Nc1ccc(C[NH2+][C@H](c2ccc(C(C)C)cc2)C(C)C)cc1 ZINC000008880148 211014485 /nfs/dbraw/zinc/01/44/85/211014485.db2.gz XWIDAUZAKYXZPF-QFIPXVFZSA-N 1 0 338.495 5.255 50 0 EKAARO CC[N@H+](Cc1ccccc1)Cc1cccc(OCc2ccccc2)c1 ZINC000009679191 564174423 /nfs/dbraw/zinc/17/44/23/564174423.db2.gz RKGBFKACRAKZJH-UHFFFAOYSA-N 1 0 331.459 5.288 50 0 EKAARO CC(C)[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315454 564017290 /nfs/dbraw/zinc/01/72/90/564017290.db2.gz LZNYBLYDKREMIA-UHFFFAOYSA-N 1 0 347.289 5.494 50 0 EKAARO Cc1c(C[NH2+]C(C)C)c2ccccc2n1Cc1ccccc1Cl ZINC000010315462 525722073 /nfs/dbraw/zinc/72/20/73/525722073.db2.gz KDBRHUSLENJUFQ-UHFFFAOYSA-N 1 0 326.871 5.149 50 0 EKAARO Cc1c(C[NH2+]C(C)(C)C)c2ccccc2n1Cc1ccccc1Cl ZINC000010315474 563646837 /nfs/dbraw/zinc/64/68/37/563646837.db2.gz BPDQPIBJJYZCCN-UHFFFAOYSA-N 1 0 340.898 5.540 50 0 EKAARO CCCC[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000010315507 563646832 /nfs/dbraw/zinc/64/68/32/563646832.db2.gz WIOPGUNQEKIJDY-UHFFFAOYSA-N 1 0 340.898 5.541 50 0 EKAARO C[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315560 563646864 /nfs/dbraw/zinc/64/68/64/563646864.db2.gz RKFKGXFWKQWWRG-UHFFFAOYSA-N 1 0 333.262 5.024 50 0 EKAARO CC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315562 564017262 /nfs/dbraw/zinc/01/72/62/564017262.db2.gz CUWYRJAIGWDTDM-UHFFFAOYSA-N 1 0 333.262 5.106 50 0 EKAARO CC[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315563 519983525 /nfs/dbraw/zinc/98/35/25/519983525.db2.gz FJAFFABLUPXRHG-UHFFFAOYSA-N 1 0 347.289 5.414 50 0 EKAARO CCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315565 211162163 /nfs/dbraw/zinc/16/21/63/211162163.db2.gz GTERTOVUUPHGHG-UHFFFAOYSA-N 1 0 347.289 5.496 50 0 EKAARO CCC[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000010315567 211162119 /nfs/dbraw/zinc/16/21/19/211162119.db2.gz KLNUHGVPRKUIBP-UHFFFAOYSA-N 1 0 326.871 5.151 50 0 EKAARO Cc1c(C[NH2+]CC(C)C)c2ccccc2n1Cc1ccccc1Cl ZINC000010315576 563647143 /nfs/dbraw/zinc/64/71/43/563647143.db2.gz QHDHALYOAHYESR-UHFFFAOYSA-N 1 0 340.898 5.397 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000010315581 211162610 /nfs/dbraw/zinc/16/26/10/211162610.db2.gz SRKTZPNYFXBENT-OAHLLOKOSA-N 1 0 340.898 5.540 50 0 EKAARO CC[C@H](C)[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000010315582 211162104 /nfs/dbraw/zinc/16/21/04/211162104.db2.gz SRKTZPNYFXBENT-HNNXBMFYSA-N 1 0 340.898 5.540 50 0 EKAARO Clc1ccc(Cn2cc(C[NH2+]C3CC3)c3ccccc32)c(Cl)c1 ZINC000010315641 563647266 /nfs/dbraw/zinc/64/72/66/563647266.db2.gz ZOAOKMNFHDYIQW-UHFFFAOYSA-N 1 0 345.273 5.248 50 0 EKAARO CC(C)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010337187 563647712 /nfs/dbraw/zinc/64/77/12/563647712.db2.gz ZSHCGUMRJJHLHU-UHFFFAOYSA-N 1 0 336.479 5.048 50 0 EKAARO CCOc1c(Cl)cc(C[NH2+]C2CCCCCCC2)cc1Cl ZINC000010435757 211172971 /nfs/dbraw/zinc/17/29/71/211172971.db2.gz DPGZWNXZFITLEU-UHFFFAOYSA-N 1 0 330.299 5.595 50 0 EKAARO CC(C)[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000010435846 211173215 /nfs/dbraw/zinc/17/32/15/211173215.db2.gz GTBNPNQIUACJLP-UHFFFAOYSA-N 1 0 339.866 5.570 50 0 EKAARO CC(C)[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000010435849 211172607 /nfs/dbraw/zinc/17/26/07/211172607.db2.gz LLIXTCYXUGFFRK-UHFFFAOYSA-N 1 0 339.866 5.570 50 0 EKAARO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]C(C)C)cc1 ZINC000010436331 211172460 /nfs/dbraw/zinc/17/24/60/211172460.db2.gz KLHMREVRECFDTR-UHFFFAOYSA-N 1 0 338.278 5.379 50 0 EKAARO CCOc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000010436355 201799708 /nfs/dbraw/zinc/79/97/08/201799708.db2.gz DCXYVQLATRPGIC-UHFFFAOYSA-N 1 0 347.886 5.124 50 0 EKAARO Clc1cc(C[NH2+]Cc2ccccc2)ccc1OCc1ccccc1 ZINC000010436504 211172423 /nfs/dbraw/zinc/17/24/23/211172423.db2.gz XLTTTZKFQPSVCD-UHFFFAOYSA-N 1 0 337.850 5.209 50 0 EKAARO Clc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccccc1 ZINC000010436517 563647960 /nfs/dbraw/zinc/64/79/60/563647960.db2.gz GXIUJYBLDWLTSL-UHFFFAOYSA-N 1 0 329.871 5.341 50 0 EKAARO CCOc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1Cl ZINC000010436609 211172183 /nfs/dbraw/zinc/17/21/83/211172183.db2.gz ISMAVKGCSMPSHT-SHYIKFMPSA-N 1 0 347.930 5.577 50 0 EKAARO CCOc1c(Cl)cc(C[NH2+]Cc2ccccc2Cl)cc1Cl ZINC000010474132 563648075 /nfs/dbraw/zinc/64/80/75/563648075.db2.gz GFUOZCUWMSWXHR-UHFFFAOYSA-N 1 0 344.669 5.335 50 0 EKAARO Clc1cc(C[NH2+]Cc2cccs2)ccc1OCc1ccccc1 ZINC000010474542 211175957 /nfs/dbraw/zinc/17/59/57/211175957.db2.gz KDDMJEWFORIVKP-UHFFFAOYSA-N 1 0 343.879 5.270 50 0 EKAARO CCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000010474805 211175507 /nfs/dbraw/zinc/17/55/07/211175507.db2.gz UJQOBXXOYXIQDZ-UHFFFAOYSA-N 1 0 347.886 5.207 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474847 211175302 /nfs/dbraw/zinc/17/53/02/211175302.db2.gz UFXLXXXNKLFFEU-UHFFFAOYSA-N 1 0 331.887 5.589 50 0 EKAARO Clc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccccc1 ZINC000010475309 211175529 /nfs/dbraw/zinc/17/55/29/211175529.db2.gz AHNOUPPWBMPGMV-UHFFFAOYSA-N 1 0 343.898 5.731 50 0 EKAARO CCOc1c(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)cc1OC ZINC000010475333 211175941 /nfs/dbraw/zinc/17/59/41/211175941.db2.gz KUEAONUYGYKSFA-UHFFFAOYSA-N 1 0 327.896 5.052 50 0 EKAARO CCOc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1Br ZINC000010475338 211175770 /nfs/dbraw/zinc/17/57/70/211175770.db2.gz DMEVEGONOVHTDF-UHFFFAOYSA-N 1 0 342.321 5.152 50 0 EKAARO CCOc1c(Cl)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1Cl ZINC000010475343 211175715 /nfs/dbraw/zinc/17/57/15/211175715.db2.gz ZCFJFMWHGGUYGF-UHFFFAOYSA-N 1 0 332.315 5.697 50 0 EKAARO CCOc1ccc(C[NH2+]C2CCCCCCC2)cc1Br ZINC000010475355 211176229 /nfs/dbraw/zinc/17/62/29/211176229.db2.gz QOWJAWBHZAHCNL-UHFFFAOYSA-N 1 0 340.305 5.050 50 0 EKAARO CC(C)C[NH+]1CCC(c2n[nH]cc2-c2ccc3ccccc3c2)CC1 ZINC000011789950 563650878 /nfs/dbraw/zinc/65/08/78/563650878.db2.gz QBMZIZIDRKNWOE-UHFFFAOYSA-N 1 0 333.479 5.065 50 0 EKAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000011911978 211267873 /nfs/dbraw/zinc/26/78/73/211267873.db2.gz KSKMDKKFUIKZGS-QGZVFWFLSA-N 1 0 341.474 5.118 50 0 EKAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000011911979 211267728 /nfs/dbraw/zinc/26/77/28/211267728.db2.gz KSKMDKKFUIKZGS-KRWDZBQOSA-N 1 0 341.474 5.118 50 0 EKAARO COc1ccccc1-c1nc2ccc(C)cc2cc1C[NH2+]C1CCCC1 ZINC000012245782 563656882 /nfs/dbraw/zinc/65/68/82/563656882.db2.gz ONLPKHZGQCMELE-UHFFFAOYSA-N 1 0 346.474 5.251 50 0 EKAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[NH2+]C2CCCC2)cc1 ZINC000012248045 201835144 /nfs/dbraw/zinc/83/51/44/201835144.db2.gz UTXZSABMLAWCLR-UHFFFAOYSA-N 1 0 346.474 5.251 50 0 EKAARO CC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(C)c(C)c1)c1ccc(F)cc1 ZINC000012301509 211337843 /nfs/dbraw/zinc/33/78/43/211337843.db2.gz HQSWQTPWYJTUEG-HXUWFJFHSA-N 1 0 337.442 5.074 50 0 EKAARO CC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(C)c(C)c1)c1ccc(F)cc1 ZINC000012301510 563657168 /nfs/dbraw/zinc/65/71/68/563657168.db2.gz HQSWQTPWYJTUEG-FQEVSTJZSA-N 1 0 337.442 5.074 50 0 EKAARO Cc1c([C@@H](C)[NH2+]Cc2ccccc2)cnn1-c1cccc2ccccc21 ZINC000012386987 211365169 /nfs/dbraw/zinc/36/51/69/211365169.db2.gz OQJWRTPMUGOCGE-QGZVFWFLSA-N 1 0 341.458 5.185 50 0 EKAARO Cc1c([C@H](C)[NH2+]Cc2ccccc2)cnn1-c1cccc2ccccc21 ZINC000012386988 211364926 /nfs/dbraw/zinc/36/49/26/211364926.db2.gz OQJWRTPMUGOCGE-KRWDZBQOSA-N 1 0 341.458 5.185 50 0 EKAARO Cc1oc(-c2ccccc2C)nc1C[N@@H+](Cc1ccccc1)CC1CC1 ZINC000012479828 211392235 /nfs/dbraw/zinc/39/22/35/211392235.db2.gz NREUEUGZGZCINR-UHFFFAOYSA-N 1 0 346.474 5.371 50 0 EKAARO COc1ccc2c(C)cc(Nc3ccc(SC(F)F)cc3)nc2c1 ZINC000012564539 564059670 /nfs/dbraw/zinc/05/96/70/564059670.db2.gz FTXWBIXOPRZSCI-UHFFFAOYSA-N 1 0 346.402 5.610 50 0 EKAARO COc1ccc2c(C)cc(Nc3cc(C)c(Cl)cc3OC)nc2c1 ZINC000012564573 564059686 /nfs/dbraw/zinc/05/96/86/564059686.db2.gz XJSSRPRKLFKAKX-UHFFFAOYSA-N 1 0 342.826 5.266 50 0 EKAARO CC(C)(C)c1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1 ZINC000012574892 564059951 /nfs/dbraw/zinc/05/99/51/564059951.db2.gz HNICAMPPRWITCR-UHFFFAOYSA-N 1 0 349.523 5.225 50 0 EKAARO CC(C)[NH2+]C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012653451 564062442 /nfs/dbraw/zinc/06/24/42/564062442.db2.gz HRROJQJBNRGRQT-FQULXSMESA-N 1 0 347.587 5.148 50 0 EKAARO COc1ccc(C[NH2+]Cc2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000012759409 564067295 /nfs/dbraw/zinc/06/72/95/564067295.db2.gz XEQPJFSVLZFRSR-UHFFFAOYSA-N 1 0 342.442 5.133 50 0 EKAARO CC[n+]1c(/C=C/c2ccccc2C(F)(F)F)ccc2ccccc21 ZINC000012936007 211487435 /nfs/dbraw/zinc/48/74/35/211487435.db2.gz XSFWRWNDRIBXQY-ACCUITESSA-N 1 0 328.357 5.336 50 0 EKAARO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CCCCCC1 ZINC000013002660 564135867 /nfs/dbraw/zinc/13/58/67/564135867.db2.gz DLKVNXCXGGVUPH-UHFFFAOYSA-N 1 0 336.479 5.094 50 0 EKAARO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000013039948 563686008 /nfs/dbraw/zinc/68/60/08/563686008.db2.gz XDKARRSXXRMBEK-HNNXBMFYSA-N 1 0 344.886 5.061 50 0 EKAARO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000013039949 563686086 /nfs/dbraw/zinc/68/60/86/563686086.db2.gz XDKARRSXXRMBEK-OAHLLOKOSA-N 1 0 344.886 5.061 50 0 EKAARO C[C@@H]1C(c2ccccc2)=C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000013301685 564036155 /nfs/dbraw/zinc/03/61/55/564036155.db2.gz UZUCCSMLMFNSDR-WVQWTBLQSA-N 1 0 339.482 6.134 50 0 EKAARO C[C@@H]1C(c2ccccc2)=C[C@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000013301695 564128998 /nfs/dbraw/zinc/12/89/98/564128998.db2.gz UZUCCSMLMFNSDR-UKDVSSAZSA-N 1 0 339.482 6.134 50 0 EKAARO Cc1c(C)c(C)c(C[N@H+]2CCO[C@H](c3ccccc3)[C@H]2C)c(C)c1C ZINC000013464372 564074283 /nfs/dbraw/zinc/07/42/83/564074283.db2.gz XAWSJSWJLFVTLP-OFNKIYASSA-N 1 0 337.507 5.191 50 0 EKAARO Cc1c(C)c(C)c(C[N@H+]2CCO[C@@H](c3ccccc3)[C@H]2C)c(C)c1C ZINC000013464374 564074303 /nfs/dbraw/zinc/07/43/03/564074303.db2.gz XAWSJSWJLFVTLP-NFBKMPQASA-N 1 0 337.507 5.191 50 0 EKAARO CCCCC[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000013468125 563698922 /nfs/dbraw/zinc/69/89/22/563698922.db2.gz YIBLLNKVEAJJCJ-KAOXLYBCSA-N 1 0 337.507 5.362 50 0 EKAARO C[N@@H+]1CCC[C@@H](C[C@@H]2Oc3ccccc3Sc3ccccc32)C1 ZINC000013555143 563701509 /nfs/dbraw/zinc/70/15/09/563701509.db2.gz ZOXQYFLPDQGMDX-YJBOKZPZSA-N 1 0 325.477 5.003 50 0 EKAARO CCOc1cccc(C[NH2+]CC(C)C)c1OCc1ccc(Cl)cc1 ZINC000013717540 564020602 /nfs/dbraw/zinc/02/06/02/564020602.db2.gz PQNJOGYKNRAADV-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO CCOc1cccc(C[NH2+]CC(C)C)c1OCc1ccccc1Cl ZINC000013717542 564020597 /nfs/dbraw/zinc/02/05/97/564020597.db2.gz GLLKYHPMXOMGBI-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO CCOc1cccc(C[NH2+][C@@H](C)CC)c1OCc1ccc(Cl)cc1 ZINC000013717546 563715749 /nfs/dbraw/zinc/71/57/49/563715749.db2.gz BKLRAINEWDCNMU-HNNXBMFYSA-N 1 0 347.886 5.206 50 0 EKAARO CCOc1cccc(C[NH2+][C@H](C)CC)c1OCc1ccc(Cl)cc1 ZINC000013717548 563715689 /nfs/dbraw/zinc/71/56/89/563715689.db2.gz BKLRAINEWDCNMU-OAHLLOKOSA-N 1 0 347.886 5.206 50 0 EKAARO CCOc1cccc(C[NH2+][C@@H](C)CC)c1OCc1ccccc1Cl ZINC000013717550 563715755 /nfs/dbraw/zinc/71/57/55/563715755.db2.gz APTXISVEKLYJEQ-HNNXBMFYSA-N 1 0 347.886 5.206 50 0 EKAARO CCOc1cccc(C[NH2+][C@H](C)CC)c1OCc1ccccc1Cl ZINC000013717552 563715679 /nfs/dbraw/zinc/71/56/79/563715679.db2.gz APTXISVEKLYJEQ-OAHLLOKOSA-N 1 0 347.886 5.206 50 0 EKAARO CCCCOCCC[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000013719980 564020609 /nfs/dbraw/zinc/02/06/09/564020609.db2.gz SPMVVQXFNPXDDW-UHFFFAOYSA-N 1 0 338.495 5.111 50 0 EKAARO CCCCOCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000013720023 211620562 /nfs/dbraw/zinc/62/05/62/211620562.db2.gz PANMMUPDSHBERV-UHFFFAOYSA-N 1 0 335.875 5.205 50 0 EKAARO CCCCOCCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000013720034 563716093 /nfs/dbraw/zinc/71/60/93/563716093.db2.gz HXYNBKRCXUBNRU-UHFFFAOYSA-N 1 0 339.838 5.036 50 0 EKAARO CCCCOCCC[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000013720121 563716013 /nfs/dbraw/zinc/71/60/13/563716013.db2.gz WEJKJLWFLLQSIB-UHFFFAOYSA-N 1 0 335.875 5.205 50 0 EKAARO CCOc1ccc2ccccc2c1C[NH2+]CCc1ccc(Cl)cc1 ZINC000013721219 563716444 /nfs/dbraw/zinc/71/64/44/563716444.db2.gz CWOKFZQHUYWSOX-UHFFFAOYSA-N 1 0 339.866 5.224 50 0 EKAARO Fc1ccccc1-c1ccc(C[NH2+]CCc2ccc(Cl)cc2)o1 ZINC000013721304 563716507 /nfs/dbraw/zinc/71/65/07/563716507.db2.gz SZCAOHYZJIULPQ-UHFFFAOYSA-N 1 0 329.802 5.071 50 0 EKAARO Fc1ccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3)o2)cc1 ZINC000013721306 564020631 /nfs/dbraw/zinc/02/06/31/564020631.db2.gz XGTQDQKYWITDGS-UHFFFAOYSA-N 1 0 329.802 5.071 50 0 EKAARO Clc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000013721312 563716330 /nfs/dbraw/zinc/71/63/30/563716330.db2.gz WDRRGNAJODIIBO-UHFFFAOYSA-N 1 0 346.257 5.586 50 0 EKAARO Clc1ccc(CC[NH2+]Cc2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000013721317 563716429 /nfs/dbraw/zinc/71/64/29/563716429.db2.gz NGGVEPROVKWZKI-UHFFFAOYSA-N 1 0 346.257 5.586 50 0 EKAARO Clc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000013721422 563716449 /nfs/dbraw/zinc/71/64/49/563716449.db2.gz ZXOWAYBYODMYBW-UHFFFAOYSA-N 1 0 346.257 5.586 50 0 EKAARO CC(C)OCCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013721953 563716738 /nfs/dbraw/zinc/71/67/38/563716738.db2.gz PMIWNSQGXGRCLQ-UHFFFAOYSA-N 1 0 342.266 5.158 50 0 EKAARO CC(C)OCCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000013721960 563716848 /nfs/dbraw/zinc/71/68/48/563716848.db2.gz QPYSAYAMXLSPQV-UHFFFAOYSA-N 1 0 342.266 5.158 50 0 EKAARO CC(C)OCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013721975 563716795 /nfs/dbraw/zinc/71/67/95/563716795.db2.gz QLMONNFIEHGZSP-UHFFFAOYSA-N 1 0 342.266 5.158 50 0 EKAARO Clc1ccc(CC[NH2+]Cc2cccc3ccccc32)c(Cl)c1 ZINC000013722745 564020622 /nfs/dbraw/zinc/02/06/22/564020622.db2.gz IBOCMUNHRBPTPN-UHFFFAOYSA-N 1 0 330.258 5.479 50 0 EKAARO Clc1ccc(CC[NH2+]Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000013722815 564020640 /nfs/dbraw/zinc/02/06/40/564020640.db2.gz HOMNFZGVFSALBN-UHFFFAOYSA-N 1 0 349.088 5.633 50 0 EKAARO Clc1ccc(CC[NH2+]Cc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000013722818 564020616 /nfs/dbraw/zinc/02/06/16/564020616.db2.gz HEIYJUHTEMPNEN-UHFFFAOYSA-N 1 0 349.088 5.633 50 0 EKAARO Fc1cccc(Cl)c1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000013722821 564020614 /nfs/dbraw/zinc/02/06/14/564020614.db2.gz KDGSKZLSZLLBJX-UHFFFAOYSA-N 1 0 332.633 5.118 50 0 EKAARO FC(F)(F)c1ccccc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000013723070 564020647 /nfs/dbraw/zinc/02/06/47/564020647.db2.gz HSPWKDIBTWJXRT-UHFFFAOYSA-N 1 0 348.195 5.345 50 0 EKAARO Clc1ccc(CC[NH2+]Cc2cccc(Cl)c2Cl)c(Cl)c1 ZINC000013723117 564020628 /nfs/dbraw/zinc/02/06/28/564020628.db2.gz ZEGNBKITPUADOS-UHFFFAOYSA-N 1 0 349.088 5.633 50 0 EKAARO Clc1ccc(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000013723120 564020618 /nfs/dbraw/zinc/02/06/18/564020618.db2.gz HEGWHVBNUFEKFE-UHFFFAOYSA-N 1 0 349.088 5.633 50 0 EKAARO CSc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000013723128 211621020 /nfs/dbraw/zinc/62/10/20/211621020.db2.gz AZIPPWDPKSBRSH-UHFFFAOYSA-N 1 0 326.292 5.048 50 0 EKAARO Clc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3)o2)c(Cl)c1 ZINC000013723136 563717191 /nfs/dbraw/zinc/71/71/91/563717191.db2.gz FSVYAYAWFCODDW-UHFFFAOYSA-N 1 0 346.257 5.586 50 0 EKAARO Fc1ccc(COc2ccccc2C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723535 563717646 /nfs/dbraw/zinc/71/76/46/563717646.db2.gz ZFZNMGFTUJEAOK-UHFFFAOYSA-N 1 0 339.454 5.385 50 0 EKAARO Fc1ccccc1COc1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000013723538 563717656 /nfs/dbraw/zinc/71/76/56/563717656.db2.gz LGHIHOKZPNLVOS-UHFFFAOYSA-N 1 0 339.454 5.385 50 0 EKAARO Fc1ccc(COc2cccc(C[NH2+]CCC3=CCCCC3)c2)cc1 ZINC000013723615 563717618 /nfs/dbraw/zinc/71/76/18/563717618.db2.gz ACDYMFPKSBXSDZ-UHFFFAOYSA-N 1 0 339.454 5.385 50 0 EKAARO Fc1ccccc1COc1cccc(C[NH2+]CCC2=CCCCC2)c1 ZINC000013723624 563717668 /nfs/dbraw/zinc/71/76/68/563717668.db2.gz OKDWCDNSOWXTPH-UHFFFAOYSA-N 1 0 339.454 5.385 50 0 EKAARO CCOc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OCC ZINC000013723743 211622886 /nfs/dbraw/zinc/62/28/86/211622886.db2.gz DFAMKFOXEQFEEK-UHFFFAOYSA-N 1 0 337.891 5.118 50 0 EKAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCC1=CCCCC1 ZINC000013723822 563717630 /nfs/dbraw/zinc/71/76/30/563717630.db2.gz MZQLJSGCGAIYOS-UHFFFAOYSA-N 1 0 328.283 5.372 50 0 EKAARO CCn1c2ccccc2c2cc(C[NH2+]CCC3=CCCCC3)ccc21 ZINC000013723838 564020630 /nfs/dbraw/zinc/02/06/30/564020630.db2.gz ZHIXFYBXIXZIOT-UHFFFAOYSA-N 1 0 332.491 5.795 50 0 EKAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCC2=CCCCC2)o1 ZINC000013723878 563717721 /nfs/dbraw/zinc/71/77/21/563717721.db2.gz OZPAGSXVGNWYID-UHFFFAOYSA-N 1 0 329.871 5.889 50 0 EKAARO COc1ccc(-c2ccc(C[NH2+]CCC3=CCCCC3)o2)cc1Cl ZINC000013723884 563717690 /nfs/dbraw/zinc/71/76/90/563717690.db2.gz VNLPWPPWQRRLGR-UHFFFAOYSA-N 1 0 345.870 5.589 50 0 EKAARO Fc1ccc(-c2ccc(C[NH2+]CCC3=CCCCC3)o2)cc1Cl ZINC000013723887 563717661 /nfs/dbraw/zinc/71/76/61/563717661.db2.gz HMNWRLDETLOASO-UHFFFAOYSA-N 1 0 333.834 5.719 50 0 EKAARO Cc1ccc(COc2ccccc2C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723911 211622494 /nfs/dbraw/zinc/62/24/94/211622494.db2.gz PAXHQQPPOLSYIT-UHFFFAOYSA-N 1 0 335.491 5.554 50 0 EKAARO Cc1ccc(COc2ccc(C[NH2+]CCC3=CCCCC3)cc2)cc1 ZINC000013723914 563717672 /nfs/dbraw/zinc/71/76/72/563717672.db2.gz VWFXSGLMFZGVIM-UHFFFAOYSA-N 1 0 335.491 5.554 50 0 EKAARO Cc1ccc(COc2cccc(C[NH2+]CCC3=CCCCC3)c2)cc1 ZINC000013723935 211622792 /nfs/dbraw/zinc/62/27/92/211622792.db2.gz WPMIOHXKCLYVJC-UHFFFAOYSA-N 1 0 335.491 5.554 50 0 EKAARO Cc1ccc(-c2ccc(C[NH2+]CCC3=CCCCC3)o2)cc1Cl ZINC000013723978 563717677 /nfs/dbraw/zinc/71/76/77/563717677.db2.gz WECRBSHUQZOUTK-UHFFFAOYSA-N 1 0 329.871 5.889 50 0 EKAARO FC(F)(F)c1cccc(-c2ccc(C[NH2+]CCC3=CCCCC3)o2)c1 ZINC000013723986 563717713 /nfs/dbraw/zinc/71/77/13/563717713.db2.gz BTFYWDFXXGVGEL-UHFFFAOYSA-N 1 0 349.396 5.946 50 0 EKAARO CCOc1c(Cl)cc(C[NH2+]CCC2=CCCCC2)cc1Cl ZINC000013724036 563717598 /nfs/dbraw/zinc/71/75/98/563717598.db2.gz BBDQRLPJJXSIGC-UHFFFAOYSA-N 1 0 328.283 5.372 50 0 EKAARO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000013724105 563717733 /nfs/dbraw/zinc/71/77/33/563717733.db2.gz LQMILBKPWMGGTC-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccccc1Cl ZINC000013724108 211622818 /nfs/dbraw/zinc/62/28/18/211622818.db2.gz JWTVPGSMEMIWNK-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO COc1cccc(C[NH2+]CCC(C)C)c1OCc1ccc(Cl)cc1 ZINC000013724130 563717601 /nfs/dbraw/zinc/71/76/01/563717601.db2.gz RKWSPXNWGSKYQC-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO COc1cccc(C[NH2+]CCC(C)C)c1OCc1ccccc1Cl ZINC000013724133 563717684 /nfs/dbraw/zinc/71/76/84/563717684.db2.gz MBGQOMDJVDSJLL-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO CC(C)CC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000013724139 563717704 /nfs/dbraw/zinc/71/77/04/563717704.db2.gz HMWAMHZZDNNIKX-UHFFFAOYSA-N 1 0 333.475 5.555 50 0 EKAARO COc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccccc1 ZINC000013724262 563717706 /nfs/dbraw/zinc/71/77/06/563717706.db2.gz FNDSBWCCHKFKHO-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO CC(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013724292 563717735 /nfs/dbraw/zinc/71/77/35/563717735.db2.gz BHDSWWJGFCAIPB-UHFFFAOYSA-N 1 0 335.850 5.194 50 0 EKAARO CC(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000013724295 563717976 /nfs/dbraw/zinc/71/79/76/563717976.db2.gz ZBYRNMAAHHNVEL-UHFFFAOYSA-N 1 0 335.850 5.194 50 0 EKAARO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1cccc(Cl)c1 ZINC000013724360 563718010 /nfs/dbraw/zinc/71/80/10/563718010.db2.gz JGSIYEXNVAANPX-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCC(C)C)cc1 ZINC000013724452 563718053 /nfs/dbraw/zinc/71/80/53/563718053.db2.gz PEWFKROKESBFAG-UHFFFAOYSA-N 1 0 347.502 5.863 50 0 EKAARO CCOc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccc(C)cc1 ZINC000013724455 563717963 /nfs/dbraw/zinc/71/79/63/563717963.db2.gz BMGQXZCMHBOQQI-UHFFFAOYSA-N 1 0 341.495 5.108 50 0 EKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCC(C)C)cc1 ZINC000013724473 563717969 /nfs/dbraw/zinc/71/79/69/563717969.db2.gz OMZDDKFIBONSSV-UHFFFAOYSA-N 1 0 331.887 5.363 50 0 EKAARO Cc1cc(-c2ccc(C[NH2+]CCC(C)C)o2)ccc1Br ZINC000013724479 563718048 /nfs/dbraw/zinc/71/80/48/563718048.db2.gz KDJDWDJGOLMSQA-UHFFFAOYSA-N 1 0 336.273 5.153 50 0 EKAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCC(C)C)o1 ZINC000013724481 563718060 /nfs/dbraw/zinc/71/80/60/563718060.db2.gz GXENZTUOISWLJB-UHFFFAOYSA-N 1 0 336.273 5.153 50 0 EKAARO CC(C)CC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013724504 563717961 /nfs/dbraw/zinc/71/79/61/563717961.db2.gz UUCLILAXQXOHLG-UHFFFAOYSA-N 1 0 340.898 5.479 50 0 EKAARO COc1cc(Cl)cc(C[NH2+]CCC(C)C)c1OCc1ccccc1 ZINC000013724528 563717996 /nfs/dbraw/zinc/71/79/96/563717996.db2.gz JRAJUADTLGCKTM-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000013724612 563718017 /nfs/dbraw/zinc/71/80/17/563718017.db2.gz VFJPKVWLIDLYFQ-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000013724615 563718041 /nfs/dbraw/zinc/71/80/41/563718041.db2.gz NVWMUAGXAGPGMF-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000013724636 201912083 /nfs/dbraw/zinc/91/20/83/201912083.db2.gz HXANZZKETKYXHP-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000013724639 563718028 /nfs/dbraw/zinc/71/80/28/563718028.db2.gz ISYSYKIUHWEWSO-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO CCC(C)(C)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000013724645 563718039 /nfs/dbraw/zinc/71/80/39/563718039.db2.gz KQQWKISHVBJTJD-UHFFFAOYSA-N 1 0 333.475 5.697 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000013724791 563718025 /nfs/dbraw/zinc/71/80/25/563718025.db2.gz VDWHSISYUDFVNJ-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013724830 563718425 /nfs/dbraw/zinc/71/84/25/563718425.db2.gz NOUGSQNQZRWDSM-UHFFFAOYSA-N 1 0 335.850 5.336 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000013724834 563718511 /nfs/dbraw/zinc/71/85/11/563718511.db2.gz WXJMLFAIEAXHAS-UHFFFAOYSA-N 1 0 335.850 5.336 50 0 EKAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000013724927 563718470 /nfs/dbraw/zinc/71/84/70/563718470.db2.gz BJWAIHDECWQSSA-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO CCC(C)(C)[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000013725048 563718464 /nfs/dbraw/zinc/71/84/64/563718464.db2.gz HZHSGVZIWYJJDI-UHFFFAOYSA-N 1 0 347.502 6.005 50 0 EKAARO CCOc1cc(C[NH2+]C(C)(C)CC)ccc1OCc1ccc(C)cc1 ZINC000013725052 563718474 /nfs/dbraw/zinc/71/84/74/563718474.db2.gz AQOFIQPUBUYUCG-UHFFFAOYSA-N 1 0 341.495 5.251 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000013725074 563718437 /nfs/dbraw/zinc/71/84/37/563718437.db2.gz NDOFLQDYFCKVIV-UHFFFAOYSA-N 1 0 331.887 5.506 50 0 EKAARO CCC(C)(C)[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000013725082 563718414 /nfs/dbraw/zinc/71/84/14/563718414.db2.gz FMLUZDQTORKGQC-UHFFFAOYSA-N 1 0 336.273 5.296 50 0 EKAARO CCC(C)(C)[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000013725086 563718388 /nfs/dbraw/zinc/71/83/88/563718388.db2.gz QMRNYNRMQDKDBU-UHFFFAOYSA-N 1 0 336.273 5.296 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013725118 563718444 /nfs/dbraw/zinc/71/84/44/563718444.db2.gz VBJOLHQFMGLDMY-UHFFFAOYSA-N 1 0 340.898 5.621 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000013725148 563718495 /nfs/dbraw/zinc/71/84/95/563718495.db2.gz IZHNCZHRMOWOPU-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO CCOc1cccc(C[NH2+]C(C)(C)CC)c1OCc1ccccc1F ZINC000013725179 211622831 /nfs/dbraw/zinc/62/28/31/211622831.db2.gz AELPQEIDOBGQBA-UHFFFAOYSA-N 1 0 345.458 5.082 50 0 EKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000013725245 564020624 /nfs/dbraw/zinc/02/06/24/564020624.db2.gz DIFZQPHMQWZBTQ-FQEVSTJZSA-N 1 0 345.486 5.377 50 0 EKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000013725249 564020612 /nfs/dbraw/zinc/02/06/12/564020612.db2.gz DIFZQPHMQWZBTQ-HXUWFJFHSA-N 1 0 345.486 5.377 50 0 EKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000013725279 564020635 /nfs/dbraw/zinc/02/06/35/564020635.db2.gz ZBYQEYJSPPQQGK-FQEVSTJZSA-N 1 0 345.486 5.377 50 0 EKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000013725283 564020645 /nfs/dbraw/zinc/02/06/45/564020645.db2.gz ZBYQEYJSPPQQGK-HXUWFJFHSA-N 1 0 345.486 5.377 50 0 EKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000013725583 564020619 /nfs/dbraw/zinc/02/06/19/564020619.db2.gz FZFFVXJECWQFPZ-FQEVSTJZSA-N 1 0 345.486 5.377 50 0 EKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000013725587 564020623 /nfs/dbraw/zinc/02/06/23/564020623.db2.gz FZFFVXJECWQFPZ-HXUWFJFHSA-N 1 0 345.486 5.377 50 0 EKAARO CCOc1ccc2ccccc2c1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000013726065 563718460 /nfs/dbraw/zinc/71/84/60/563718460.db2.gz FLOFZIWIOHAHJO-SFHVURJKSA-N 1 0 333.475 5.349 50 0 EKAARO CCOc1ccc2ccccc2c1C[NH2+][C@H](C)CCc1ccccc1 ZINC000013726069 563718403 /nfs/dbraw/zinc/71/84/03/563718403.db2.gz FLOFZIWIOHAHJO-GOSISDBHSA-N 1 0 333.475 5.349 50 0 EKAARO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000013726198 563718451 /nfs/dbraw/zinc/71/84/51/563718451.db2.gz RQIIQJHCRWAUNV-ZDUSSCGKSA-N 1 0 338.278 5.113 50 0 EKAARO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000013726202 563718483 /nfs/dbraw/zinc/71/84/83/563718483.db2.gz RQIIQJHCRWAUNV-CYBMUJFWSA-N 1 0 338.278 5.113 50 0 EKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013726329 211622809 /nfs/dbraw/zinc/62/28/09/211622809.db2.gz MITOXGQDFXGVKO-INIZCTEOSA-N 1 0 339.866 5.711 50 0 EKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013726333 563718478 /nfs/dbraw/zinc/71/84/78/563718478.db2.gz MITOXGQDFXGVKO-MRXNPFEDSA-N 1 0 339.866 5.711 50 0 EKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000013726345 563718408 /nfs/dbraw/zinc/71/84/08/563718408.db2.gz RGELKSAXQQTPDP-INIZCTEOSA-N 1 0 339.866 5.711 50 0 EKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000013726349 563718778 /nfs/dbraw/zinc/71/87/78/563718778.db2.gz RGELKSAXQQTPDP-MRXNPFEDSA-N 1 0 339.866 5.711 50 0 EKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000013726590 563718738 /nfs/dbraw/zinc/71/87/38/563718738.db2.gz ONWSOWVVDVQVEP-INIZCTEOSA-N 1 0 339.866 5.711 50 0 EKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000013726594 563718710 /nfs/dbraw/zinc/71/87/10/563718710.db2.gz ONWSOWVVDVQVEP-MRXNPFEDSA-N 1 0 339.866 5.711 50 0 EKAARO CCOc1cccc(C[NH2+]C(C)(C)C)c1OCc1ccccc1Cl ZINC000013729756 564020678 /nfs/dbraw/zinc/02/06/78/564020678.db2.gz CQSWNRDFKIBXCH-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO CCCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1F ZINC000013729945 563719489 /nfs/dbraw/zinc/71/94/89/563719489.db2.gz KWRYANRJNGUYEF-UHFFFAOYSA-N 1 0 345.458 5.083 50 0 EKAARO CCOc1cccc(C[NH2+]C(C)(C)C)c1OCc1ccc(Cl)cc1 ZINC000013730171 564020649 /nfs/dbraw/zinc/02/06/49/564020649.db2.gz ZBBXLRLHFARMHO-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO CCCC[NH2+]Cc1cccc(OCC)c1OCc1ccc(Cl)cc1 ZINC000013731751 563719391 /nfs/dbraw/zinc/71/93/91/563719391.db2.gz ZNJXLQURRHOKNV-UHFFFAOYSA-N 1 0 347.886 5.207 50 0 EKAARO CCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1Cl ZINC000013731756 563719414 /nfs/dbraw/zinc/71/94/14/563719414.db2.gz HHZLEJNSGNMVRZ-UHFFFAOYSA-N 1 0 347.886 5.207 50 0 EKAARO CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1C(C)C ZINC000013751294 211631411 /nfs/dbraw/zinc/63/14/11/211631411.db2.gz VKZWRJPZKYCXEQ-LDVJMBRRSA-N 1 0 337.507 5.266 50 0 EKAARO CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC[NH3+] ZINC000013816329 563724948 /nfs/dbraw/zinc/72/49/48/563724948.db2.gz DLHLOYYQQGSXCC-DOFZRALJSA-N 1 0 347.543 5.634 50 0 endogenous,in-man EKAARO CSc1ccc2cc(C[NH+]3C[C@H](C)C[C@@H](C)C3)c(Cl)nc2c1 ZINC000014077151 563738045 /nfs/dbraw/zinc/73/80/45/563738045.db2.gz WCBDLDBOZOXBJW-CHWSQXEVSA-N 1 0 334.916 5.088 50 0 EKAARO CSc1ccc2cc(C[NH+]3C[C@@H](C)C[C@H](C)C3)c(Cl)nc2c1 ZINC000014077153 563738093 /nfs/dbraw/zinc/73/80/93/563738093.db2.gz WCBDLDBOZOXBJW-STQMWFEESA-N 1 0 334.916 5.088 50 0 EKAARO CSc1ccc2cc(C[N@H+]3C[C@H](C)C[C@H](C)C3)c(Cl)nc2c1 ZINC000014077155 563738016 /nfs/dbraw/zinc/73/80/16/563738016.db2.gz WCBDLDBOZOXBJW-BETUJISGSA-N 1 0 334.916 5.088 50 0 EKAARO Clc1c2ccccc2sc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000014077701 563738067 /nfs/dbraw/zinc/73/80/67/563738067.db2.gz VVWLNYLFXAHGML-CYBMUJFWSA-N 1 0 333.909 5.953 50 0 EKAARO Clc1c2ccccc2sc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000014077703 563738079 /nfs/dbraw/zinc/73/80/79/563738079.db2.gz VVWLNYLFXAHGML-ZDUSSCGKSA-N 1 0 333.909 5.953 50 0 EKAARO Clc1ccc2cc(C[NH2+]C3CCCC3)c(-c3ccsc3)nc2c1 ZINC000014883097 201943211 /nfs/dbraw/zinc/94/32/11/201943211.db2.gz PHSYJHYZPQGGDR-UHFFFAOYSA-N 1 0 342.895 5.649 50 0 EKAARO Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000015064486 563774646 /nfs/dbraw/zinc/77/46/46/563774646.db2.gz VGIBQNXZSSUUCC-GOSISDBHSA-N 1 0 338.476 5.221 50 0 EKAARO Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000015064487 563774688 /nfs/dbraw/zinc/77/46/88/563774688.db2.gz VGIBQNXZSSUUCC-SFHVURJKSA-N 1 0 338.476 5.221 50 0 EKAARO c1ccc(C[C@H]([NH2+]Cc2nc3ccccc3s2)c2ccccc2)cc1 ZINC000015487562 564024218 /nfs/dbraw/zinc/02/42/18/564024218.db2.gz UEKNHGYMIZEDDO-FQEVSTJZSA-N 1 0 344.483 5.370 50 0 EKAARO c1ccc(C[C@@H]([NH2+]Cc2nc3ccccc3s2)c2ccccc2)cc1 ZINC000015487563 564024242 /nfs/dbraw/zinc/02/42/42/564024242.db2.gz UEKNHGYMIZEDDO-HXUWFJFHSA-N 1 0 344.483 5.370 50 0 EKAARO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(Br)s2)c1 ZINC000015836766 564076416 /nfs/dbraw/zinc/07/64/16/564076416.db2.gz YSUGIUUGBXRNFY-HNNXBMFYSA-N 1 0 336.298 5.156 50 0 EKAARO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(Br)s2)c1 ZINC000015836769 564076407 /nfs/dbraw/zinc/07/64/07/564076407.db2.gz YSUGIUUGBXRNFY-OAHLLOKOSA-N 1 0 336.298 5.156 50 0 EKAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000015836930 564076423 /nfs/dbraw/zinc/07/64/23/564076423.db2.gz MTOZENCKAWITIZ-SFHVURJKSA-N 1 0 335.369 5.051 50 0 EKAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000015836932 564076439 /nfs/dbraw/zinc/07/64/39/564076439.db2.gz MTOZENCKAWITIZ-GOSISDBHSA-N 1 0 335.369 5.051 50 0 EKAARO C[C@@H]([NH2+]CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)c1ccccc1 ZINC000016030727 563802357 /nfs/dbraw/zinc/80/23/57/563802357.db2.gz PLOSVZGCTGIPMD-AUSIDOKSSA-N 1 0 337.507 5.254 50 0 EKAARO C[C@@H]([NH2+]CC[C@]1(c2ccccc2)CCOC(C)(C)C1)c1ccccc1 ZINC000016030729 563802370 /nfs/dbraw/zinc/80/23/70/563802370.db2.gz PLOSVZGCTGIPMD-XXBNENTESA-N 1 0 337.507 5.254 50 0 EKAARO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000016346903 563809445 /nfs/dbraw/zinc/80/94/45/563809445.db2.gz GDNKSOAQROOJFZ-UHFFFAOYSA-N 1 0 341.838 5.207 50 0 EKAARO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1cccc(C)c1 ZINC000016349280 563809340 /nfs/dbraw/zinc/80/93/40/563809340.db2.gz XJSAIYFXTVADQO-UHFFFAOYSA-N 1 0 339.479 5.005 50 0 EKAARO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccccc1C ZINC000016362749 563809813 /nfs/dbraw/zinc/80/98/13/563809813.db2.gz XGQQABDDQOJZKD-UHFFFAOYSA-N 1 0 339.479 5.005 50 0 EKAARO Clc1ccc(COc2cccc(C[NH2+]C3CCCCC3)c2)cc1 ZINC000016399536 563810484 /nfs/dbraw/zinc/81/04/84/563810484.db2.gz YYFMGEBNBXPFQA-UHFFFAOYSA-N 1 0 329.871 5.341 50 0 EKAARO Clc1ccc(COc2cccc(C[NH2+]C3CCCCCC3)c2)cc1 ZINC000016399539 211901873 /nfs/dbraw/zinc/90/18/73/211901873.db2.gz RVYNBVROCYQUHT-UHFFFAOYSA-N 1 0 343.898 5.731 50 0 EKAARO Clc1ccc(COc2cccc(C[NH2+]Cc3cccs3)c2)cc1 ZINC000016399562 563810434 /nfs/dbraw/zinc/81/04/34/563810434.db2.gz CZDDOZCODCYLLG-UHFFFAOYSA-N 1 0 343.879 5.270 50 0 EKAARO Fc1ccc(COc2cccc(C[NH2+]C3CCCCCC3)c2)cc1 ZINC000016399568 563810445 /nfs/dbraw/zinc/81/04/45/563810445.db2.gz YLFWDIAULHEUKK-UHFFFAOYSA-N 1 0 327.443 5.217 50 0 EKAARO Clc1ccc(COc2ccc(C[NH2+]C3CCCCC3)cc2)cc1 ZINC000016401538 211901045 /nfs/dbraw/zinc/90/10/45/211901045.db2.gz XNVSVBJOCYAXNB-UHFFFAOYSA-N 1 0 329.871 5.341 50 0 EKAARO Clc1ccc(COc2ccc(C[NH2+]C3CCCCCC3)cc2)cc1 ZINC000016401547 563810534 /nfs/dbraw/zinc/81/05/34/563810534.db2.gz QWZPZFFVTNCAPA-UHFFFAOYSA-N 1 0 343.898 5.731 50 0 EKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3cccs3)cc2)cc1 ZINC000016430643 563810978 /nfs/dbraw/zinc/81/09/78/563810978.db2.gz NIRSUVJBPWWTGI-UHFFFAOYSA-N 1 0 343.879 5.270 50 0 EKAARO Clc1ccc(COc2ccccc2C[NH2+]C2CCCCC2)cc1 ZINC000016449616 211904614 /nfs/dbraw/zinc/90/46/14/211904614.db2.gz PTQYGXFUZXHCRY-UHFFFAOYSA-N 1 0 329.871 5.341 50 0 EKAARO Clc1ccccc1COc1ccccc1C[NH2+]C1CCCCC1 ZINC000016449621 563811603 /nfs/dbraw/zinc/81/16/03/563811603.db2.gz CCSDZLJIRBMSSU-UHFFFAOYSA-N 1 0 329.871 5.341 50 0 EKAARO Clc1ccc(COc2ccccc2C[NH2+]C2CCCCCC2)cc1 ZINC000016449627 563811674 /nfs/dbraw/zinc/81/16/74/563811674.db2.gz NCOHTEKDSSKJPR-UHFFFAOYSA-N 1 0 343.898 5.731 50 0 EKAARO Fc1ccc(COc2ccccc2C[NH2+]C2CCCCCC2)cc1 ZINC000016449629 563811641 /nfs/dbraw/zinc/81/16/41/563811641.db2.gz WGQNFCXQOLFLGD-UHFFFAOYSA-N 1 0 327.443 5.217 50 0 EKAARO Clc1ccccc1COc1ccccc1C[NH2+]C1CCCCCC1 ZINC000016449633 563811706 /nfs/dbraw/zinc/81/17/06/563811706.db2.gz XFWCMFFBJRKWRA-UHFFFAOYSA-N 1 0 343.898 5.731 50 0 EKAARO Fc1ccccc1COc1ccccc1C[NH2+]C1CCCCCC1 ZINC000016449635 563811721 /nfs/dbraw/zinc/81/17/21/563811721.db2.gz SWJUDXXHCQYENC-UHFFFAOYSA-N 1 0 327.443 5.217 50 0 EKAARO Clc1ccc(COc2ccccc2C[NH2+]Cc2cccs2)cc1 ZINC000016449785 563811745 /nfs/dbraw/zinc/81/17/45/563811745.db2.gz AFZWGXHFMCHKTQ-UHFFFAOYSA-N 1 0 343.879 5.270 50 0 EKAARO Clc1ccccc1COc1ccccc1C[NH2+]Cc1cccs1 ZINC000016449790 563811616 /nfs/dbraw/zinc/81/16/16/563811616.db2.gz HWCAIFCJDDXVPJ-UHFFFAOYSA-N 1 0 343.879 5.270 50 0 EKAARO Clc1ccccc1COc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000016449866 563812082 /nfs/dbraw/zinc/81/20/82/563812082.db2.gz ARPYLWKAOQLLCO-UHFFFAOYSA-N 1 0 329.871 5.341 50 0 EKAARO Clc1ccccc1COc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000016449868 563811977 /nfs/dbraw/zinc/81/19/77/563811977.db2.gz QSRAULLJTRYQNE-UHFFFAOYSA-N 1 0 343.898 5.731 50 0 EKAARO Clc1ccccc1COc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000016449891 563811986 /nfs/dbraw/zinc/81/19/86/563811986.db2.gz OUSYMBMKHFSQDN-UHFFFAOYSA-N 1 0 343.879 5.270 50 0 EKAARO Clc1ccccc1COc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000016450040 563812106 /nfs/dbraw/zinc/81/21/06/563812106.db2.gz XIHBXVNYBYIGHH-UHFFFAOYSA-N 1 0 329.871 5.341 50 0 EKAARO Clc1ccccc1COc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000016450043 563812104 /nfs/dbraw/zinc/81/21/04/563812104.db2.gz MQQNMWXVFPOXRN-UHFFFAOYSA-N 1 0 343.898 5.731 50 0 EKAARO Fc1ccccc1COc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000016450044 563811980 /nfs/dbraw/zinc/81/19/80/563811980.db2.gz UWXXOLFMPDSUHW-UHFFFAOYSA-N 1 0 327.443 5.217 50 0 EKAARO Clc1ccccc1COc1cccc(C[NH2+]Cc2cccs2)c1 ZINC000016450082 563812009 /nfs/dbraw/zinc/81/20/09/563812009.db2.gz IIGFLBCLWIITNT-UHFFFAOYSA-N 1 0 343.879 5.270 50 0 EKAARO Clc1ccc(COc2ccc(C[NH2+]Cc3ccccc3)cc2)cc1 ZINC000016480117 563812770 /nfs/dbraw/zinc/81/27/70/563812770.db2.gz ZSUYUOKKSFGOKD-UHFFFAOYSA-N 1 0 337.850 5.209 50 0 EKAARO Clc1ccccc1COc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000016480123 563812715 /nfs/dbraw/zinc/81/27/15/563812715.db2.gz IWEGPBUQSHYAIE-UHFFFAOYSA-N 1 0 337.850 5.209 50 0 EKAARO Clc1ccc(COc2cccc(C[NH2+]Cc3ccccc3)c2)cc1 ZINC000016480128 563812836 /nfs/dbraw/zinc/81/28/36/563812836.db2.gz HJPFEEJBWAWECJ-UHFFFAOYSA-N 1 0 337.850 5.209 50 0 EKAARO Clc1ccccc1COc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000016480140 563812699 /nfs/dbraw/zinc/81/26/99/563812699.db2.gz RNSBBQLUZZAPFO-UHFFFAOYSA-N 1 0 337.850 5.209 50 0 EKAARO Clc1ccc(COc2ccccc2C[NH2+]Cc2ccccc2)cc1 ZINC000016480149 563812828 /nfs/dbraw/zinc/81/28/28/563812828.db2.gz BXAGAMFYEFKOII-UHFFFAOYSA-N 1 0 337.850 5.209 50 0 EKAARO Clc1ccccc1COc1ccccc1C[NH2+]Cc1ccccc1 ZINC000016480161 563812803 /nfs/dbraw/zinc/81/28/03/563812803.db2.gz HSHXIQYGMMIIKZ-UHFFFAOYSA-N 1 0 337.850 5.209 50 0 EKAARO Clc1ccccc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000016480433 563812791 /nfs/dbraw/zinc/81/27/91/563812791.db2.gz LMSPVMKTJDOHRV-UHFFFAOYSA-N 1 0 337.850 5.209 50 0 EKAARO Clc1ccc(OCc2ccccc2)c(C[NH2+]C2CCCCCC2)c1 ZINC000016480508 563812811 /nfs/dbraw/zinc/81/28/11/563812811.db2.gz KONYMHFYNZVLLL-UHFFFAOYSA-N 1 0 343.898 5.731 50 0 EKAARO Clc1ccc(OCc2ccccc2)c(C[NH2+]Cc2cccs2)c1 ZINC000016480582 564024656 /nfs/dbraw/zinc/02/46/56/564024656.db2.gz JJHJLMXJLFPMRZ-UHFFFAOYSA-N 1 0 343.879 5.270 50 0 EKAARO c1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCC2)cc1 ZINC000016480613 563812833 /nfs/dbraw/zinc/81/28/33/563812833.db2.gz BZPOPJZJFIFJCR-UHFFFAOYSA-N 1 0 345.486 5.841 50 0 EKAARO Clc1ccccc1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000016480727 563812782 /nfs/dbraw/zinc/81/27/82/563812782.db2.gz YREFWUIMDKRAML-UHFFFAOYSA-N 1 0 337.850 5.209 50 0 EKAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000016493140 563813587 /nfs/dbraw/zinc/81/35/87/563813587.db2.gz QPPFSBAZWHKRIJ-UHFFFAOYSA-N 1 0 326.443 5.167 50 0 EKAARO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CC2)cc1 ZINC000016525838 563814377 /nfs/dbraw/zinc/81/43/77/563814377.db2.gz WNJCVKRSJYRPNK-UHFFFAOYSA-N 1 0 337.850 5.324 50 0 EKAARO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1CC1 ZINC000016525843 564024658 /nfs/dbraw/zinc/02/46/58/564024658.db2.gz SUHKAKNKNQBRLR-UHFFFAOYSA-N 1 0 337.850 5.324 50 0 EKAARO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCC2)cc1 ZINC000016525847 563814564 /nfs/dbraw/zinc/81/45/64/563814564.db2.gz LEOUDWOZVHBBBK-UHFFFAOYSA-N 1 0 349.449 5.590 50 0 EKAARO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1CCCC1 ZINC000016525849 563814450 /nfs/dbraw/zinc/81/44/50/563814450.db2.gz NECGLYMZIFDGHI-UHFFFAOYSA-N 1 0 349.449 5.590 50 0 EKAARO CCCC[C@@H](CC)COCC[NH2+]CCOC[C@@H](CC)CCCC ZINC000016637704 563818148 /nfs/dbraw/zinc/81/81/48/563818148.db2.gz NLFVPFWRZJSSOV-BGYRXZFFSA-N 1 0 329.569 5.042 50 0 EKAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)c3ccccc3)c2)cc1 ZINC000017309587 564011597 /nfs/dbraw/zinc/01/15/97/564011597.db2.gz NZXNRICBXKRCAN-GOSISDBHSA-N 1 0 344.458 5.098 50 0 EKAARO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)c3ccccc3)c2)cc1 ZINC000017309588 211964863 /nfs/dbraw/zinc/96/48/63/211964863.db2.gz NZXNRICBXKRCAN-SFHVURJKSA-N 1 0 344.458 5.098 50 0 EKAARO CCCCCC/N=c1/cc(-c2ccc(OC)cc2)oc2ccc(C)cc21 ZINC000018089077 564085670 /nfs/dbraw/zinc/08/56/70/564085670.db2.gz JMFFJYUVKPJFFS-FLFQWRMESA-N 1 0 349.474 5.898 50 0 EKAARO CC1=Nc2ccccc2[NH+]=C(C)C=C(C)Nc2ccccc2NC(C)=C1 ZINC000018155533 563849726 /nfs/dbraw/zinc/84/97/26/563849726.db2.gz SDTVGIGPWYXSSL-UHFFFAOYSA-N 1 0 344.462 6.217 50 0 EKAARO C(C[N@@H+]1CCCC2(CCCCC2)C1)N1CCCC2(CCCCC2)C1 ZINC000019363410 212020950 /nfs/dbraw/zinc/02/09/50/212020950.db2.gz KVJUHOIXUVOHTN-UHFFFAOYSA-N 1 0 332.576 5.079 50 0 EKAARO c1[nH]nc(C2CC[NH+](C3CCCC3)CC2)c1-c1ccc2ccccc2c1 ZINC000019595694 202014866 /nfs/dbraw/zinc/01/48/66/202014866.db2.gz GHDBFQDLMHUCAF-UHFFFAOYSA-N 1 0 345.490 5.352 50 0 EKAARO CC(C)=CCC[C@H](C)CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019609062 212051919 /nfs/dbraw/zinc/05/19/19/212051919.db2.gz XIVVTWFPFOCLTP-SYZXBLONSA-N 1 0 340.555 5.090 50 0 EKAARO CC(C)=CCC[C@@H](C)CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019609064 202014537 /nfs/dbraw/zinc/01/45/37/202014537.db2.gz XIVVTWFPFOCLTP-MKGTUJQCSA-N 1 0 340.555 5.090 50 0 EKAARO CC(C)=CCC/C(C)=C/C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019609146 563918159 /nfs/dbraw/zinc/91/81/59/563918159.db2.gz WELOYHKLKQRKIE-OJPKGUMCSA-N 1 0 338.539 5.010 50 0 EKAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000019635385 202015515 /nfs/dbraw/zinc/01/55/15/202015515.db2.gz VYTQJPSKRPQFQA-QGZVFWFLSA-N 1 0 338.476 5.091 50 0 EKAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000019635388 212053549 /nfs/dbraw/zinc/05/35/49/212053549.db2.gz VYTQJPSKRPQFQA-KRWDZBQOSA-N 1 0 338.476 5.091 50 0 EKAARO c1[nH]c2ccccc2c1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000019642728 212052350 /nfs/dbraw/zinc/05/23/50/212052350.db2.gz HUUNUNYGLNQOMP-QHCPKHFHSA-N 1 0 326.443 5.242 50 0 EKAARO c1[nH]c2ccccc2c1C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000019642735 202014735 /nfs/dbraw/zinc/01/47/35/202014735.db2.gz HUUNUNYGLNQOMP-HSZRJFAPSA-N 1 0 326.443 5.242 50 0 EKAARO CC[NH+](CC)c1ccc(NC[C@@H](C)Oc2c(C)cccc2C)cc1 ZINC000019737478 212059114 /nfs/dbraw/zinc/05/91/14/212059114.db2.gz NWUWIYLGUPAEQD-GOSISDBHSA-N 1 0 326.484 5.029 50 0 EKAARO CC[NH+](CC)c1ccc(NC[C@H](C)Oc2c(C)cccc2C)cc1 ZINC000019737479 212059195 /nfs/dbraw/zinc/05/91/95/212059195.db2.gz NWUWIYLGUPAEQD-SFHVURJKSA-N 1 0 326.484 5.029 50 0 EKAARO C[C@@H](C[NH2+]Cc1ccccc1Cl)Oc1ccc(Cl)cc1Cl ZINC000019737600 202017682 /nfs/dbraw/zinc/01/76/82/202017682.db2.gz NIYICYTYFFZBBW-NSHDSACASA-N 1 0 344.669 5.204 50 0 EKAARO C[C@H](C[NH2+]Cc1ccccc1Cl)Oc1ccc(Cl)cc1Cl ZINC000019737601 202018325 /nfs/dbraw/zinc/01/83/25/202018325.db2.gz NIYICYTYFFZBBW-LLVKDONJSA-N 1 0 344.669 5.204 50 0 EKAARO CCCCCCOc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000019737610 202017966 /nfs/dbraw/zinc/01/79/66/202017966.db2.gz NRQQZJCSPQFMEM-UHFFFAOYSA-N 1 0 331.887 5.589 50 0 EKAARO C[C@@H]([NH2+]Cc1ccccc1OCCc1ccccc1)c1ccccc1 ZINC000019737864 212059268 /nfs/dbraw/zinc/05/92/68/212059268.db2.gz CYISGRRQXNONOI-LJQANCHMSA-N 1 0 331.459 5.159 50 0 EKAARO C[C@H]([NH2+]Cc1ccccc1OCCc1ccccc1)c1ccccc1 ZINC000019737865 212059593 /nfs/dbraw/zinc/05/95/93/212059593.db2.gz CYISGRRQXNONOI-IBGZPJMESA-N 1 0 331.459 5.159 50 0 EKAARO CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cc(C)c(OC)cc2C)oc1C ZINC000019743270 212060071 /nfs/dbraw/zinc/06/00/71/212060071.db2.gz DOLFZYTXWKTKDB-QGZVFWFLSA-N 1 0 342.483 5.040 50 0 EKAARO CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cc(C)c(OC)cc2C)oc1C ZINC000019743272 202018331 /nfs/dbraw/zinc/01/83/31/202018331.db2.gz DOLFZYTXWKTKDB-KRWDZBQOSA-N 1 0 342.483 5.040 50 0 EKAARO C[NH2+]Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000019778096 212065927 /nfs/dbraw/zinc/06/59/27/212065927.db2.gz NFDOYAHBUCBLQF-UHFFFAOYSA-N 1 0 346.257 5.445 50 0 EKAARO C[NH2+]Cc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc21 ZINC000019778097 212065682 /nfs/dbraw/zinc/06/56/82/212065682.db2.gz DSHNZVNNQPPMBQ-UHFFFAOYSA-N 1 0 346.257 5.445 50 0 EKAARO c1ccc(C2CCC(N3CC[NH+](C4CCCCCC4)CC3)CC2)cc1 ZINC000019790082 212067042 /nfs/dbraw/zinc/06/70/42/212067042.db2.gz IVNLWENARCLAEA-UHFFFAOYSA-N 1 0 340.555 5.053 50 0 EKAARO CCCC[C@@H](CC)COCC[N@@H+](C)CCOC[C@@H](CC)CCCC ZINC000019800739 202022862 /nfs/dbraw/zinc/02/28/62/202022862.db2.gz PSIRGZQWZAIUGO-OYRHEFFESA-N 1 0 343.596 5.384 50 0 EKAARO Clc1ccc(C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000019810069 202021894 /nfs/dbraw/zinc/02/18/94/202021894.db2.gz JGEXAYVJXHJTOY-UHFFFAOYSA-N 1 0 335.878 5.585 50 0 EKAARO CC(C)c1ccccc1C(c1ccccc1C(C)C)[NH+]1CCOCC1 ZINC000019853641 564138184 /nfs/dbraw/zinc/13/81/84/564138184.db2.gz ZKVAHSHYAZPKQM-UHFFFAOYSA-N 1 0 337.507 5.355 50 0 EKAARO Clc1ccc2c(c1)c1cc(Cl)ccc1n2C[NH+]1CCCCC1 ZINC000019854706 212076171 /nfs/dbraw/zinc/07/61/71/212076171.db2.gz JADVCVRZSJSHGY-UHFFFAOYSA-N 1 0 333.262 5.545 50 0 EKAARO CCn1c2ccccc2c2cc(C[NH2+]CCc3cccc(F)c3)ccc21 ZINC000019855984 212076465 /nfs/dbraw/zinc/07/64/65/212076465.db2.gz IZQGXPYMVSYPGI-UHFFFAOYSA-N 1 0 346.449 5.286 50 0 EKAARO c1ccc(C[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000019878812 212078249 /nfs/dbraw/zinc/07/82/49/212078249.db2.gz KHCIKYIRXBURMY-UHFFFAOYSA-N 1 0 349.477 5.768 50 0 EKAARO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H](c2ccccc2)c2ccccc2C1 ZINC000019899074 212081091 /nfs/dbraw/zinc/08/10/91/212081091.db2.gz SNUVBTJYLUPNFL-RPWUZVMVSA-N 1 0 327.471 5.438 50 0 EKAARO c1cc(C23CC4CC(CC(C4)C2)C3)cc2c3c4n(c12)C[NH2+]C[C@@H]4CCC3 ZINC000019925146 212084664 /nfs/dbraw/zinc/08/46/64/212084664.db2.gz QELBLQBJVCEGND-JNYXMARXSA-N 1 0 346.518 5.090 50 0 EKAARO CCn1c2ccccc2c2cc(C[NH2+]CCc3ccccc3F)ccc21 ZINC000019933255 212086497 /nfs/dbraw/zinc/08/64/97/212086497.db2.gz IZCCWXVPECYWOM-UHFFFAOYSA-N 1 0 346.449 5.286 50 0 EKAARO Clc1ccc2c(c1)c1cc(Cl)ccc1n2C[NH+]1CCCCCC1 ZINC000019938689 564138304 /nfs/dbraw/zinc/13/83/04/564138304.db2.gz WRHOJZOMJRVQJW-UHFFFAOYSA-N 1 0 347.289 5.935 50 0 EKAARO Brc1ccc2c(c1)c1ccccc1n2C[NH+]1CCCCC1 ZINC000019938690 202027874 /nfs/dbraw/zinc/02/78/74/202027874.db2.gz UPHFPFGTHANPPV-UHFFFAOYSA-N 1 0 343.268 5.000 50 0 EKAARO FC(F)(F)c1cccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)c1 ZINC000020158567 212107704 /nfs/dbraw/zinc/10/77/04/212107704.db2.gz BYVFLPOVXVFDAW-UHFFFAOYSA-N 1 0 331.337 5.255 50 0 EKAARO CCOc1ccccc1C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020159052 212107378 /nfs/dbraw/zinc/10/73/78/212107378.db2.gz GAKJIUAUSHEMFU-UHFFFAOYSA-N 1 0 345.486 5.330 50 0 EKAARO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1cccc(Cl)c1 ZINC000020306363 212117893 /nfs/dbraw/zinc/11/78/93/212117893.db2.gz QRSCBUISPDFNRA-SECBINFHSA-N 1 0 330.678 5.015 50 0 EKAARO C[C@H]([NH2+]Cc1cc(Br)cs1)c1cccc(Cl)c1 ZINC000020306365 212118119 /nfs/dbraw/zinc/11/81/19/212118119.db2.gz QRSCBUISPDFNRA-VIFPVBQESA-N 1 0 330.678 5.015 50 0 EKAARO CCOC(=O)c1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000020329251 212119517 /nfs/dbraw/zinc/11/95/17/212119517.db2.gz ZBDFMRBYPGWSBX-UHFFFAOYSA-N 1 0 346.430 5.034 50 0 EKAARO Cc1c(C)c(C)c(C[N@H+]2CCO[C@H](c3ccccc3)[C@@H]2C)c(C)c1C ZINC000020413907 212126199 /nfs/dbraw/zinc/12/61/99/212126199.db2.gz XAWSJSWJLFVTLP-REWPJTCUSA-N 1 0 337.507 5.191 50 0 EKAARO Cc1c(C)c(C)c(C[N@H+]2CCO[C@@H](c3ccccc3)[C@@H]2C)c(C)c1C ZINC000020413912 202041465 /nfs/dbraw/zinc/04/14/65/202041465.db2.gz XAWSJSWJLFVTLP-NZQKXSOJSA-N 1 0 337.507 5.191 50 0 EKAARO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000020448750 202043336 /nfs/dbraw/zinc/04/33/36/202043336.db2.gz MIKPJUWNCCYJNY-HXUWFJFHSA-N 1 0 346.474 5.338 50 0 EKAARO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000020448753 212130191 /nfs/dbraw/zinc/13/01/91/212130191.db2.gz MIKPJUWNCCYJNY-FQEVSTJZSA-N 1 0 346.474 5.338 50 0 EKAARO Clc1ccc(OCc2ccccc2)c(C[NH2+]Cc2ccccc2)c1 ZINC000020522720 212143808 /nfs/dbraw/zinc/14/38/08/212143808.db2.gz YVUBUMMGJGEFET-UHFFFAOYSA-N 1 0 337.850 5.209 50 0 EKAARO Cc1ccc(COc2ccccc2C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000020873589 202057127 /nfs/dbraw/zinc/05/71/27/202057127.db2.gz HRRUAAWNUYHJSY-LJQANCHMSA-N 1 0 331.459 5.425 50 0 EKAARO Cc1ccc(COc2ccccc2C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000020873591 212179456 /nfs/dbraw/zinc/17/94/56/212179456.db2.gz HRRUAAWNUYHJSY-IBGZPJMESA-N 1 0 331.459 5.425 50 0 EKAARO Cc1ccc(COc2ccccc2C[NH2+]CCc2ccccc2F)cc1 ZINC000020873635 212179950 /nfs/dbraw/zinc/17/99/50/212179950.db2.gz CQEPLTZTOMVBJS-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1ccc(COc2ccccc2C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000020873636 212180094 /nfs/dbraw/zinc/18/00/94/212180094.db2.gz FYCAROVZUXZCLQ-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1ccc(COc2ccccc2C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000020873639 212179808 /nfs/dbraw/zinc/17/98/08/212179808.db2.gz NVZNUYLROGVZMB-UHFFFAOYSA-N 1 0 335.422 5.003 50 0 EKAARO Cc1ccc(COc2ccccc2C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000020873673 212179487 /nfs/dbraw/zinc/17/94/87/212179487.db2.gz NHIDRZNVUCTBQS-UHFFFAOYSA-N 1 0 339.523 5.878 50 0 EKAARO Cc1ccc(COc2ccccc2C[NH2+]C2CCCCCCC2)cc1 ZINC000020873675 212180701 /nfs/dbraw/zinc/18/07/01/212180701.db2.gz LJLBHKMLEMMRKV-UHFFFAOYSA-N 1 0 337.507 5.777 50 0 EKAARO Cc1ccc(C[NH2+]Cc2ccccc2OCc2ccc(C)cc2)cc1 ZINC000020873678 212180065 /nfs/dbraw/zinc/18/00/65/212180065.db2.gz WGOONMJGBFTVEL-UHFFFAOYSA-N 1 0 331.459 5.172 50 0 EKAARO Cc1ccc(COc2ccc(C[NH2+][C@H](C)c3ccccc3)cc2)cc1 ZINC000020873706 202057266 /nfs/dbraw/zinc/05/72/66/202057266.db2.gz IBAMBBVDISQPPU-LJQANCHMSA-N 1 0 331.459 5.425 50 0 EKAARO Cc1ccc(COc2ccc(C[NH2+][C@@H](C)c3ccccc3)cc2)cc1 ZINC000020873708 212180768 /nfs/dbraw/zinc/18/07/68/212180768.db2.gz IBAMBBVDISQPPU-IBGZPJMESA-N 1 0 331.459 5.425 50 0 EKAARO Cc1ccc(COc2ccc(C[NH2+]CCc3ccccc3F)cc2)cc1 ZINC000020873747 212180212 /nfs/dbraw/zinc/18/02/12/212180212.db2.gz ADPPVTPJLAJXHL-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1ccc(COc2ccc(C[NH2+]CCc3ccc(F)cc3)cc2)cc1 ZINC000020873749 212180590 /nfs/dbraw/zinc/18/05/90/212180590.db2.gz CGXWBDQPXCMHPV-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1ccc(COc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)cc1 ZINC000020873753 212179630 /nfs/dbraw/zinc/17/96/30/212179630.db2.gz QGVBJWIIRMROAA-UHFFFAOYSA-N 1 0 335.422 5.003 50 0 EKAARO Cc1ccc(COc2ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc2)cc1 ZINC000020873781 212179579 /nfs/dbraw/zinc/17/95/79/212179579.db2.gz SNJHUOSMYNCKIN-UHFFFAOYSA-N 1 0 339.523 5.878 50 0 EKAARO Cc1ccc(COc2ccc(C[NH2+]C3CCCCCCC3)cc2)cc1 ZINC000020873783 212179827 /nfs/dbraw/zinc/17/98/27/212179827.db2.gz IBZNGXROPSJAOB-UHFFFAOYSA-N 1 0 337.507 5.777 50 0 EKAARO Cc1ccc(C[NH2+]Cc2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000020873786 212179684 /nfs/dbraw/zinc/17/96/84/212179684.db2.gz SMBSBBGMRJWBHX-UHFFFAOYSA-N 1 0 331.459 5.172 50 0 EKAARO COc1cccc(C[NH2+]C2CCCCC2)c1OCc1ccc(C)cc1 ZINC000020873915 212180565 /nfs/dbraw/zinc/18/05/65/212180565.db2.gz YASFELWQWXGDEW-UHFFFAOYSA-N 1 0 339.479 5.005 50 0 EKAARO CCCCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000020873958 212179932 /nfs/dbraw/zinc/17/99/32/212179932.db2.gz BXACQHKIKYULBC-UHFFFAOYSA-N 1 0 341.495 5.253 50 0 EKAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C(C)(C)C)cc1 ZINC000020874147 212180657 /nfs/dbraw/zinc/18/06/57/212180657.db2.gz ICPBKKHPSFWAFE-UHFFFAOYSA-N 1 0 333.475 5.615 50 0 EKAARO CCCC[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874168 202057548 /nfs/dbraw/zinc/05/75/48/202057548.db2.gz XWHLZOWDJPZRSX-UHFFFAOYSA-N 1 0 333.475 5.617 50 0 EKAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCC2)cc1 ZINC000020874170 202057117 /nfs/dbraw/zinc/05/71/17/202057117.db2.gz HFYPWFPDHKPIHE-UHFFFAOYSA-N 1 0 345.486 5.759 50 0 EKAARO CCCCC[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874193 212180815 /nfs/dbraw/zinc/18/08/15/212180815.db2.gz MVQIOJBWWPWABK-UHFFFAOYSA-N 1 0 347.502 6.007 50 0 EKAARO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CC(C)C)cc1 ZINC000020874196 212180571 /nfs/dbraw/zinc/18/05/71/212180571.db2.gz ADQGAWFVQVBWRB-UHFFFAOYSA-N 1 0 333.475 5.473 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874198 212179498 /nfs/dbraw/zinc/17/94/98/212179498.db2.gz AFUIJRSHLWNDQY-GOSISDBHSA-N 1 0 333.475 5.615 50 0 EKAARO CC[C@H](C)[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874199 212179466 /nfs/dbraw/zinc/17/94/66/212179466.db2.gz AFUIJRSHLWNDQY-SFHVURJKSA-N 1 0 333.475 5.615 50 0 EKAARO CCOc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccc(C)cc1 ZINC000020874303 212179835 /nfs/dbraw/zinc/17/98/35/212179835.db2.gz KMLBVQITRLPAGH-UHFFFAOYSA-N 1 0 339.479 5.005 50 0 EKAARO CCCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874329 202057623 /nfs/dbraw/zinc/05/76/23/202057623.db2.gz STOWCUGDCRQJAE-UHFFFAOYSA-N 1 0 341.495 5.253 50 0 EKAARO Cc1ccc(COc2cccc(C[NH2+][C@H](C)c3ccccc3)c2)cc1 ZINC000020874435 202057379 /nfs/dbraw/zinc/05/73/79/202057379.db2.gz AGZFIPQKZUYHHT-LJQANCHMSA-N 1 0 331.459 5.425 50 0 EKAARO Cc1ccc(COc2cccc(C[NH2+][C@@H](C)c3ccccc3)c2)cc1 ZINC000020874437 212180891 /nfs/dbraw/zinc/18/08/91/212180891.db2.gz AGZFIPQKZUYHHT-IBGZPJMESA-N 1 0 331.459 5.425 50 0 EKAARO Cc1ccc(COc2cccc(C[NH2+]CCc3ccccc3F)c2)cc1 ZINC000020874482 212180798 /nfs/dbraw/zinc/18/07/98/212180798.db2.gz MSKOZGYQWFUXRM-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1ccc(COc2cccc(C[NH2+]CCc3ccc(F)cc3)c2)cc1 ZINC000020874484 212179590 /nfs/dbraw/zinc/17/95/90/212179590.db2.gz GHHGTNUPQSJAOC-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1ccc(COc2cccc(C[NH2+]Cc3ccc(F)cc3)c2)cc1 ZINC000020874488 212179735 /nfs/dbraw/zinc/17/97/35/212179735.db2.gz JKRJYSGSEXROJY-UHFFFAOYSA-N 1 0 335.422 5.003 50 0 EKAARO Cc1ccc(COc2cccc(C[NH2+]C(C)(C)CC(C)(C)C)c2)cc1 ZINC000020874517 212180567 /nfs/dbraw/zinc/18/05/67/212180567.db2.gz JWTNXJABLWAVLW-UHFFFAOYSA-N 1 0 339.523 5.878 50 0 EKAARO Cc1ccc(COc2cccc(C[NH2+]C3CCCCCCC3)c2)cc1 ZINC000020874518 212180127 /nfs/dbraw/zinc/18/01/27/212180127.db2.gz OOYHCXJRBHHUNU-UHFFFAOYSA-N 1 0 337.507 5.777 50 0 EKAARO Cc1ccc(C[NH2+]Cc2cccc(OCc3ccc(C)cc3)c2)cc1 ZINC000020874522 202057576 /nfs/dbraw/zinc/05/75/76/202057576.db2.gz QJZGICMKJBJFMV-UHFFFAOYSA-N 1 0 331.459 5.172 50 0 EKAARO CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874853 212180937 /nfs/dbraw/zinc/18/09/37/212180937.db2.gz USRDVQCJPOVMRK-UHFFFAOYSA-N 1 0 347.886 5.126 50 0 EKAARO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874939 212180901 /nfs/dbraw/zinc/18/09/01/212180901.db2.gz NAKYTJSQCOQFJP-UHFFFAOYSA-N 1 0 347.886 5.124 50 0 EKAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020874958 212179665 /nfs/dbraw/zinc/17/96/65/212179665.db2.gz IOWAVTHAASBPAC-UHFFFAOYSA-N 1 0 347.886 5.126 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020874985 212179648 /nfs/dbraw/zinc/17/96/48/212179648.db2.gz SIWITLPQRYRIOE-OAHLLOKOSA-N 1 0 347.886 5.124 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020874987 212179528 /nfs/dbraw/zinc/17/95/28/212179528.db2.gz SIWITLPQRYRIOE-HNNXBMFYSA-N 1 0 347.886 5.124 50 0 EKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCC2)cc1 ZINC000020875070 212180200 /nfs/dbraw/zinc/18/02/00/212180200.db2.gz DHPJCLSQSINSSA-UHFFFAOYSA-N 1 0 343.898 5.650 50 0 EKAARO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCC2)cc1 ZINC000020875098 212180777 /nfs/dbraw/zinc/18/07/77/212180777.db2.gz SKBLUHYHKSCWRU-UHFFFAOYSA-N 1 0 329.871 5.260 50 0 EKAARO CCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875126 212180972 /nfs/dbraw/zinc/18/09/72/212180972.db2.gz WPAQDPYBNBSTER-UHFFFAOYSA-N 1 0 331.887 5.507 50 0 EKAARO CCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875128 212180168 /nfs/dbraw/zinc/18/01/68/212180168.db2.gz YRRWDFGUCZXVEC-UHFFFAOYSA-N 1 0 345.914 5.897 50 0 EKAARO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875590 212179843 /nfs/dbraw/zinc/17/98/43/212179843.db2.gz SCMVLXLJXHZBNO-UHFFFAOYSA-N 1 0 342.664 5.251 50 0 EKAARO CCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875611 202056737 /nfs/dbraw/zinc/05/67/37/202056737.db2.gz VOUOMVAIBUXZFK-UHFFFAOYSA-N 1 0 342.664 5.252 50 0 EKAARO CC(C)C[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875648 212180687 /nfs/dbraw/zinc/18/06/87/212180687.db2.gz IVZSYIPHRLBYOM-UHFFFAOYSA-N 1 0 342.664 5.108 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875650 212180310 /nfs/dbraw/zinc/18/03/10/212180310.db2.gz BQDDLYZHTRRZNV-SNVBAGLBSA-N 1 0 342.664 5.251 50 0 EKAARO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875652 212180789 /nfs/dbraw/zinc/18/07/89/212180789.db2.gz BQDDLYZHTRRZNV-JTQLQIEISA-N 1 0 342.664 5.251 50 0 EKAARO Cc1cc(-c2ccc(C[NH2+]C3CCCCC3)o2)ccc1Br ZINC000020875729 212182122 /nfs/dbraw/zinc/18/21/22/212182122.db2.gz MMHGAEBTPQCBMP-UHFFFAOYSA-N 1 0 348.284 5.440 50 0 EKAARO Cc1cc(-c2ccc(C[NH2+]C3CCCC3)o2)ccc1Br ZINC000020875754 212181976 /nfs/dbraw/zinc/18/19/76/212181976.db2.gz NJHDANTWEJSKGD-UHFFFAOYSA-N 1 0 334.257 5.050 50 0 EKAARO CCCCC[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000020875784 202057391 /nfs/dbraw/zinc/05/73/91/202057391.db2.gz BQTSPBPMLHZXDK-UHFFFAOYSA-N 1 0 336.273 5.297 50 0 EKAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C2CCCCC2)o1 ZINC000020875869 202056940 /nfs/dbraw/zinc/05/69/40/202056940.db2.gz PKMIJJKKDGPYCW-UHFFFAOYSA-N 1 0 348.284 5.440 50 0 EKAARO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C2CCCC2)o1 ZINC000020875893 212181248 /nfs/dbraw/zinc/18/12/48/212181248.db2.gz QPVPKPXYTXBTBX-UHFFFAOYSA-N 1 0 334.257 5.050 50 0 EKAARO CCCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000020875915 202057459 /nfs/dbraw/zinc/05/74/59/202057459.db2.gz XYKHQBPPZRVPPS-UHFFFAOYSA-N 1 0 336.273 5.297 50 0 EKAARO Clc1ccccc1-c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)o1 ZINC000020875991 202056992 /nfs/dbraw/zinc/05/69/92/202056992.db2.gz BGNGAKYOGZCHOW-UHFFFAOYSA-N 1 0 341.882 5.658 50 0 EKAARO Clc1ccccc1-c1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)o1 ZINC000020875997 212182354 /nfs/dbraw/zinc/18/23/54/212182354.db2.gz UGUBDZKZACYBPU-UHFFFAOYSA-N 1 0 341.882 5.514 50 0 EKAARO Fc1ccccc1CC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000020876051 212182237 /nfs/dbraw/zinc/18/22/37/212182237.db2.gz ONXKZDYMEFFLTK-UHFFFAOYSA-N 1 0 329.802 5.071 50 0 EKAARO Fc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000020876053 212182419 /nfs/dbraw/zinc/18/24/19/212182419.db2.gz WXRSFYBBJWHLET-UHFFFAOYSA-N 1 0 329.802 5.071 50 0 EKAARO Cc1ccc(-c2ccc(C[NH2+][C@H](C)c3ccccc3)o2)cc1Cl ZINC000020876563 202057637 /nfs/dbraw/zinc/05/76/37/202057637.db2.gz VLYLYYULXQZJIU-OAHLLOKOSA-N 1 0 325.839 5.759 50 0 EKAARO Cc1ccc(-c2ccc(C[NH2+][C@@H](C)c3ccccc3)o2)cc1Cl ZINC000020876565 202057047 /nfs/dbraw/zinc/05/70/47/202057047.db2.gz VLYLYYULXQZJIU-HNNXBMFYSA-N 1 0 325.839 5.759 50 0 EKAARO Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1Cl ZINC000020876573 212181397 /nfs/dbraw/zinc/18/13/97/212181397.db2.gz OGKQWNGBVJAJIS-UHFFFAOYSA-N 1 0 325.839 5.241 50 0 EKAARO Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)cc1Cl ZINC000020876616 212182411 /nfs/dbraw/zinc/18/24/11/212182411.db2.gz OGGZYWUOJUGMIY-UHFFFAOYSA-N 1 0 343.829 5.380 50 0 EKAARO Cc1ccc(-c2ccc(C[NH2+]CCc3ccc(F)cc3)o2)cc1Cl ZINC000020876618 212181476 /nfs/dbraw/zinc/18/14/76/212181476.db2.gz ZVZLJKLLVTVHLM-UHFFFAOYSA-N 1 0 343.829 5.380 50 0 EKAARO Cc1ccc(-c2ccc(C[NH2+]Cc3ccc(F)cc3)o2)cc1Cl ZINC000020876622 212181564 /nfs/dbraw/zinc/18/15/64/212181564.db2.gz YAIGTBDNMDZLSZ-UHFFFAOYSA-N 1 0 329.802 5.337 50 0 EKAARO Cc1ccc(-c2ccc(C[NH2+]C(C)(C)CC(C)(C)C)o2)cc1Cl ZINC000020876647 212181720 /nfs/dbraw/zinc/18/17/20/212181720.db2.gz UBZCNVQWVWNKCE-UHFFFAOYSA-N 1 0 333.903 6.213 50 0 EKAARO Cc1ccc(-c2ccc(C[NH2+]C3CCCCCCC3)o2)cc1Cl ZINC000020876649 202057421 /nfs/dbraw/zinc/05/74/21/202057421.db2.gz KVRCMLPOUXGOAZ-UHFFFAOYSA-N 1 0 331.887 6.111 50 0 EKAARO Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000020876651 212182346 /nfs/dbraw/zinc/18/23/46/212182346.db2.gz AVNHFKRBZRYLOG-UHFFFAOYSA-N 1 0 325.839 5.507 50 0 EKAARO CCCOc1ccccc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000020924320 212187813 /nfs/dbraw/zinc/18/78/13/212187813.db2.gz UNDXOGYMZQWXND-QFWMWPAFSA-N 1 0 327.512 5.314 50 0 EKAARO CCCOc1ccccc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020924654 202058346 /nfs/dbraw/zinc/05/83/46/202058346.db2.gz BICOIEPLOSAUBB-UHFFFAOYSA-N 1 0 338.278 5.115 50 0 EKAARO CCCOc1cccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1 ZINC000020924741 212187725 /nfs/dbraw/zinc/18/77/25/212187725.db2.gz SNIZUGBNLLMHHL-IZQOUKSCSA-N 1 0 327.512 5.314 50 0 EKAARO CCCOc1cccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000020925115 212188175 /nfs/dbraw/zinc/18/81/75/212188175.db2.gz UVWAWRJMPDIWJR-UHFFFAOYSA-N 1 0 338.278 5.115 50 0 EKAARO CCCOc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000020925176 212187785 /nfs/dbraw/zinc/18/77/85/212187785.db2.gz QTOBUEKDMQEIBB-IZQOUKSCSA-N 1 0 327.512 5.314 50 0 EKAARO CCCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000020925334 212188567 /nfs/dbraw/zinc/18/85/67/212188567.db2.gz LVXACYLMDMSWEL-UHFFFAOYSA-N 1 0 338.278 5.115 50 0 EKAARO CCCOc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000020925382 212188652 /nfs/dbraw/zinc/18/86/52/212188652.db2.gz WHSAKUIIIJIUMQ-UHFFFAOYSA-N 1 0 333.903 5.187 50 0 EKAARO CCCOc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1Cl ZINC000020925403 202058655 /nfs/dbraw/zinc/05/86/55/202058655.db2.gz XHMLPAVHBSQOOV-UHFFFAOYSA-N 1 0 333.903 5.043 50 0 EKAARO CCCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1Cl ZINC000020925729 212188913 /nfs/dbraw/zinc/18/89/13/212188913.db2.gz IEWFPDKFZVEGBH-UHFFFAOYSA-N 1 0 338.278 5.115 50 0 EKAARO CCCOc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1Cl ZINC000020925761 212187833 /nfs/dbraw/zinc/18/78/33/212187833.db2.gz UBVRASNTCLZJQZ-INIZCTEOSA-N 1 0 331.887 5.240 50 0 EKAARO CCCOc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1Cl ZINC000020925767 202058636 /nfs/dbraw/zinc/05/86/36/202058636.db2.gz UBVRASNTCLZJQZ-MRXNPFEDSA-N 1 0 331.887 5.240 50 0 EKAARO CCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1Br ZINC000020925841 202058803 /nfs/dbraw/zinc/05/88/03/202058803.db2.gz MOSZBBJNGBTFRS-AWEZNQCLSA-N 1 0 348.284 5.089 50 0 EKAARO CCCOc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1Br ZINC000020925847 202059040 /nfs/dbraw/zinc/05/90/40/202059040.db2.gz MOSZBBJNGBTFRS-CQSZACIVSA-N 1 0 348.284 5.089 50 0 EKAARO CCCOc1ccc(C[NH2+]C2CCCCCC2)cc1Br ZINC000020926033 212188167 /nfs/dbraw/zinc/18/81/67/212188167.db2.gz GNCYOMLBPCTRKB-UHFFFAOYSA-N 1 0 340.305 5.050 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccccc2)cc1Cl ZINC000020926260 212188840 /nfs/dbraw/zinc/18/88/40/212188840.db2.gz SUZNBIVMFDTNGL-ZDUSSCGKSA-N 1 0 338.278 5.633 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccccc2)cc1Cl ZINC000020926266 212187693 /nfs/dbraw/zinc/18/76/93/212187693.db2.gz SUZNBIVMFDTNGL-CYBMUJFWSA-N 1 0 338.278 5.633 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+]CCc2ccccc2)cc1Cl ZINC000020926292 202058619 /nfs/dbraw/zinc/05/86/19/202058619.db2.gz BBIGGSMPJAHQKL-UHFFFAOYSA-N 1 0 338.278 5.115 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+]Cc2cccs2)cc1Cl ZINC000020926328 202058588 /nfs/dbraw/zinc/05/85/88/202058588.db2.gz BVKDRHUUYDLSTD-UHFFFAOYSA-N 1 0 330.280 5.134 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+]Cc2ccc(F)cc2)cc1Cl ZINC000020926435 212187755 /nfs/dbraw/zinc/18/77/55/212187755.db2.gz CAQTZRABAWPZBW-UHFFFAOYSA-N 1 0 342.241 5.211 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+]C2CCCCCC2)cc1Cl ZINC000020926469 202058140 /nfs/dbraw/zinc/05/81/40/202058140.db2.gz GGAVDKCHSKKPSE-UHFFFAOYSA-N 1 0 330.299 5.595 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1Cl ZINC000020926481 212187584 /nfs/dbraw/zinc/18/75/84/212187584.db2.gz BWRYLCHOUYPPNC-UHFFFAOYSA-N 1 0 346.342 6.087 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+]C2CCCCCCC2)cc1Cl ZINC000020926487 212187653 /nfs/dbraw/zinc/18/76/53/212187653.db2.gz MBKBWVXESDNQQR-UHFFFAOYSA-N 1 0 344.326 5.985 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+]Cc2ccc(C)cc2)cc1Cl ZINC000020926497 212187712 /nfs/dbraw/zinc/18/77/12/212187712.db2.gz INZPYPGLOSRQFE-UHFFFAOYSA-N 1 0 338.278 5.380 50 0 EKAARO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCCC)c(Cl)c1 ZINC000020926581 202058463 /nfs/dbraw/zinc/05/84/63/202058463.db2.gz HWGMLGGMRNQVQH-UHFFFAOYSA-N 1 0 348.314 5.079 50 0 EKAARO COc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1Cl ZINC000020927875 212188427 /nfs/dbraw/zinc/18/84/27/212188427.db2.gz XCLJNRDSFPENIY-LGMBCPCJSA-N 1 0 333.903 5.187 50 0 EKAARO COc1c(Cl)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000020928233 212187593 /nfs/dbraw/zinc/18/75/93/212187593.db2.gz OYABDOFNOSCORI-UHFFFAOYSA-N 1 0 340.294 5.060 50 0 EKAARO COc1c(Cl)cc(C[NH2+][C@@H](C)CCc2ccccc2)cc1Cl ZINC000020928656 202058857 /nfs/dbraw/zinc/05/88/57/202058857.db2.gz GOSZRTQNLUAJAZ-ZDUSSCGKSA-N 1 0 338.278 5.113 50 0 EKAARO COc1c(Cl)cc(C[NH2+][C@H](C)CCc2ccccc2)cc1Cl ZINC000020928662 212188773 /nfs/dbraw/zinc/18/87/73/212188773.db2.gz GOSZRTQNLUAJAZ-CYBMUJFWSA-N 1 0 338.278 5.113 50 0 EKAARO CCCOc1ccc(Cl)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020928697 212187719 /nfs/dbraw/zinc/18/77/19/212187719.db2.gz MDURUNOEFAUXHJ-UHFFFAOYSA-N 1 0 333.903 5.187 50 0 EKAARO CCCOc1ccc(Cl)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000020928716 202058663 /nfs/dbraw/zinc/05/86/63/202058663.db2.gz FUZVYSSJUKQMRJ-UHFFFAOYSA-N 1 0 333.903 5.043 50 0 EKAARO CCCOc1ccc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000020929054 212187677 /nfs/dbraw/zinc/18/76/77/212187677.db2.gz CFZSSQVUIRMFDN-UHFFFAOYSA-N 1 0 338.278 5.115 50 0 EKAARO CCCOc1ccc(Cl)cc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000020929088 212188095 /nfs/dbraw/zinc/18/80/95/212188095.db2.gz MMMFHDGRDFOGGD-INIZCTEOSA-N 1 0 331.887 5.240 50 0 EKAARO CCCOc1ccc(Cl)cc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000020929093 212187610 /nfs/dbraw/zinc/18/76/10/212187610.db2.gz MMMFHDGRDFOGGD-MRXNPFEDSA-N 1 0 331.887 5.240 50 0 EKAARO CCCOc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000020929166 212190283 /nfs/dbraw/zinc/19/02/83/212190283.db2.gz XCASRYRHHSWVNZ-AWEZNQCLSA-N 1 0 348.284 5.089 50 0 EKAARO CCCOc1ccc(Br)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000020929172 212189664 /nfs/dbraw/zinc/18/96/64/212189664.db2.gz XCASRYRHHSWVNZ-CQSZACIVSA-N 1 0 348.284 5.089 50 0 EKAARO CCCOc1ccc(Br)cc1C[NH2+]C1CCCCCC1 ZINC000020929370 212189873 /nfs/dbraw/zinc/18/98/73/212189873.db2.gz AXHQQYAPNSFIPA-UHFFFAOYSA-N 1 0 340.305 5.050 50 0 EKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000020930046 212189884 /nfs/dbraw/zinc/18/98/84/212189884.db2.gz SYDMAEKEYBPQGT-ZDUSSCGKSA-N 1 0 338.278 5.633 50 0 EKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000020930052 202058702 /nfs/dbraw/zinc/05/87/02/202058702.db2.gz SYDMAEKEYBPQGT-CYBMUJFWSA-N 1 0 338.278 5.633 50 0 EKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccccc1 ZINC000020930077 212190102 /nfs/dbraw/zinc/19/01/02/212190102.db2.gz JYGZGCMSOCHYPP-UHFFFAOYSA-N 1 0 338.278 5.115 50 0 EKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccs1 ZINC000020930114 212189426 /nfs/dbraw/zinc/18/94/26/212189426.db2.gz HXBLYCZOFBARSD-UHFFFAOYSA-N 1 0 330.280 5.134 50 0 EKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000020930229 202058040 /nfs/dbraw/zinc/05/80/40/202058040.db2.gz ZEAIAQNRJWEVDV-UHFFFAOYSA-N 1 0 342.241 5.211 50 0 EKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000020930266 212189283 /nfs/dbraw/zinc/18/92/83/212189283.db2.gz PARMHBTXADIGGL-UHFFFAOYSA-N 1 0 330.299 5.595 50 0 EKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000020930277 202058859 /nfs/dbraw/zinc/05/88/59/202058859.db2.gz WHRJVKFHHIQCOF-UHFFFAOYSA-N 1 0 346.342 6.087 50 0 EKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCCCCC1 ZINC000020930283 212190299 /nfs/dbraw/zinc/19/02/99/212190299.db2.gz OSUXRKHGNKIPJN-UHFFFAOYSA-N 1 0 344.326 5.985 50 0 EKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(C)cc1 ZINC000020930295 212190175 /nfs/dbraw/zinc/19/01/75/212190175.db2.gz UQFWZWXVSIGKHC-UHFFFAOYSA-N 1 0 338.278 5.380 50 0 EKAARO CCCCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCC ZINC000020930378 202058238 /nfs/dbraw/zinc/05/82/38/202058238.db2.gz OKXRETVVSWZVRI-UHFFFAOYSA-N 1 0 348.314 5.079 50 0 EKAARO CCCOc1ccc2ccccc2c1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020930465 202059048 /nfs/dbraw/zinc/05/90/48/202059048.db2.gz ZLBOMQSESIMXRP-UHFFFAOYSA-N 1 0 349.518 5.687 50 0 EKAARO CCCOc1ccc2ccccc2c1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000020930483 212189909 /nfs/dbraw/zinc/18/99/09/212189909.db2.gz ABZOLIZMCKRADG-UHFFFAOYSA-N 1 0 349.518 5.543 50 0 EKAARO CCCOc1ccc2ccccc2c1C[NH2+]Cc1ccccc1Cl ZINC000020930536 212190357 /nfs/dbraw/zinc/19/03/57/212190357.db2.gz NFJGKSMSYILFDC-UHFFFAOYSA-N 1 0 339.866 5.572 50 0 EKAARO CCCOc1ccc2ccccc2c1C[NH2+]CCc1ccccc1F ZINC000020930668 202058437 /nfs/dbraw/zinc/05/84/37/202058437.db2.gz CDXQWRLKZFQEJE-UHFFFAOYSA-N 1 0 337.438 5.100 50 0 EKAARO CCCOc1ccc2ccccc2c1C[NH2+]CCc1ccc(F)cc1 ZINC000020930675 202058292 /nfs/dbraw/zinc/05/82/92/202058292.db2.gz YFRXLEKURRVWOJ-UHFFFAOYSA-N 1 0 337.438 5.100 50 0 EKAARO CCCOc1ccc2ccccc2c1C[NH2+]C(C)(C)CC(C)(C)C ZINC000020930733 212189396 /nfs/dbraw/zinc/18/93/96/212189396.db2.gz RDGDWKYBFJPQDT-UHFFFAOYSA-N 1 0 327.512 5.933 50 0 EKAARO CCCOc1ccc2ccccc2c1C[NH2+]C1CCCCCCC1 ZINC000020930739 202058971 /nfs/dbraw/zinc/05/89/71/202058971.db2.gz FZSMWINWMBCNRI-UHFFFAOYSA-N 1 0 325.496 5.831 50 0 EKAARO CCCOc1ccc2ccccc2c1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000020930881 212189943 /nfs/dbraw/zinc/18/99/43/212189943.db2.gz RYZWUPUQNXDONA-IBGZPJMESA-N 1 0 347.502 5.740 50 0 EKAARO CCCOc1ccc2ccccc2c1C[NH2+][C@H](C)CCc1ccccc1 ZINC000020930889 212189270 /nfs/dbraw/zinc/18/92/70/212189270.db2.gz RYZWUPUQNXDONA-LJQANCHMSA-N 1 0 347.502 5.740 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1OC ZINC000020931601 212190379 /nfs/dbraw/zinc/19/03/79/212190379.db2.gz QIBNHJCRGRJFAC-UHFFFAOYSA-N 1 0 341.923 5.442 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+]C2CCCCCCC2)cc1OC ZINC000020931607 212190328 /nfs/dbraw/zinc/19/03/28/212190328.db2.gz MUTZVNBQOJTERF-UHFFFAOYSA-N 1 0 339.907 5.340 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccccc2)cc1OCC ZINC000020931841 202058594 /nfs/dbraw/zinc/05/85/94/202058594.db2.gz KVWRLWOJUKSQJA-HNNXBMFYSA-N 1 0 347.886 5.378 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccccc2)cc1OCC ZINC000020931847 202059030 /nfs/dbraw/zinc/05/90/30/202059030.db2.gz KVWRLWOJUKSQJA-OAHLLOKOSA-N 1 0 347.886 5.378 50 0 EKAARO CCCCCC[NH2+]Cc1cc(Cl)c(OCCC)c(OCC)c1 ZINC000020931938 212190477 /nfs/dbraw/zinc/19/04/77/212190477.db2.gz QYSHFCKJBLYOBV-UHFFFAOYSA-N 1 0 327.896 5.197 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+]C2CCCCCC2)cc1OCC ZINC000020932042 212189392 /nfs/dbraw/zinc/18/93/92/212189392.db2.gz QARFOOUXMSWRIK-UHFFFAOYSA-N 1 0 339.907 5.340 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+]Cc2ccc(C)cc2)cc1OCC ZINC000020932070 202058510 /nfs/dbraw/zinc/05/85/10/202058510.db2.gz RQVREKVKAXNUQU-UHFFFAOYSA-N 1 0 347.886 5.126 50 0 EKAARO CCn1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000020934942 212189560 /nfs/dbraw/zinc/18/95/60/212189560.db2.gz OCULRPVVCYITLZ-LXGFQCHUSA-N 1 0 336.523 5.356 50 0 EKAARO CCn1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000020934947 212189252 /nfs/dbraw/zinc/18/92/52/212189252.db2.gz OCULRPVVCYITLZ-DNBYOKIBSA-N 1 0 336.523 5.356 50 0 EKAARO CCn1cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c2ccccc21 ZINC000020934959 212189878 /nfs/dbraw/zinc/18/98/78/212189878.db2.gz JOSVNJHPDQXCPU-SVIALIIXSA-N 1 0 336.523 5.500 50 0 EKAARO CCn1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000020935319 202057842 /nfs/dbraw/zinc/05/78/42/202057842.db2.gz ICMLBVGMVYNPBF-UHFFFAOYSA-N 1 0 347.289 5.300 50 0 EKAARO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cn(C(C)C)c2ccccc12 ZINC000021719819 212244115 /nfs/dbraw/zinc/24/41/15/212244115.db2.gz FRCWYLMTFPIABO-HXUWFJFHSA-N 1 0 337.467 5.164 50 0 EKAARO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1cn(C(C)C)c2ccccc12 ZINC000021719821 202069412 /nfs/dbraw/zinc/06/94/12/202069412.db2.gz FRCWYLMTFPIABO-FQEVSTJZSA-N 1 0 337.467 5.164 50 0 EKAARO c1ccc(COc2cccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000022073742 212275401 /nfs/dbraw/zinc/27/54/01/212275401.db2.gz LSLMCYMGGGOBNO-UHFFFAOYSA-N 1 0 347.502 5.324 50 0 EKAARO c1ccc(COc2cccc(C[NH2+]C3C4CC5CC(C4)CC3C5)c2)cc1 ZINC000022073744 212275169 /nfs/dbraw/zinc/27/51/69/212275169.db2.gz MYYMZJHHIKLEBJ-UHFFFAOYSA-N 1 0 347.502 5.180 50 0 EKAARO c1ccc(COc2ccccc2C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000022073752 212275429 /nfs/dbraw/zinc/27/54/29/212275429.db2.gz KEOKVUILGPMSOI-UHFFFAOYSA-N 1 0 347.502 5.180 50 0 EKAARO c1ccc(COc2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000022073767 212275102 /nfs/dbraw/zinc/27/51/02/212275102.db2.gz YNAUKZUJETXFRO-UHFFFAOYSA-N 1 0 347.502 5.324 50 0 EKAARO c1ccc(COc2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000022073769 202078612 /nfs/dbraw/zinc/07/86/12/202078612.db2.gz JEOWMYMMPMVNLK-UHFFFAOYSA-N 1 0 347.502 5.180 50 0 EKAARO Clc1ccc(OCc2ccccc2)c(C[NH2+]C2CCCCC2)c1 ZINC000022073955 212275485 /nfs/dbraw/zinc/27/54/85/212275485.db2.gz ITKLNHHWGRWTMH-UHFFFAOYSA-N 1 0 329.871 5.341 50 0 EKAARO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCC2)cc1 ZINC000022073962 202078309 /nfs/dbraw/zinc/07/83/09/202078309.db2.gz MVUAXFTYEQBZGI-UHFFFAOYSA-N 1 0 347.861 5.480 50 0 EKAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]C1CCCCC1 ZINC000022073964 212275124 /nfs/dbraw/zinc/27/51/24/212275124.db2.gz OYACQLFFRSFOCH-UHFFFAOYSA-N 1 0 347.861 5.480 50 0 EKAARO c1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCC2)cc1 ZINC000022074235 212274953 /nfs/dbraw/zinc/27/49/53/212274953.db2.gz IYLFABUOYOULTD-UHFFFAOYSA-N 1 0 331.459 5.451 50 0 EKAARO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]C2CCCC2)cc1 ZINC000022074277 212275370 /nfs/dbraw/zinc/27/53/70/212275370.db2.gz VNLJLMILKUECFJ-UHFFFAOYSA-N 1 0 333.834 5.090 50 0 EKAARO Clc1ccc(Cl)c(-c2ccc(C[NH2+]CCc3ccccc3)o2)c1 ZINC000022076503 202079136 /nfs/dbraw/zinc/07/91/36/202079136.db2.gz YTCFOPNJWHLMTH-UHFFFAOYSA-N 1 0 346.257 5.586 50 0 EKAARO Fc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000022076533 202079235 /nfs/dbraw/zinc/07/92/35/202079235.db2.gz UOKPPWWTCITGGK-UHFFFAOYSA-N 1 0 329.802 5.071 50 0 EKAARO Fc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000022076535 212277289 /nfs/dbraw/zinc/27/72/89/212277289.db2.gz QDTCNSQUSOGLOT-UHFFFAOYSA-N 1 0 329.802 5.071 50 0 EKAARO Clc1cc(Cl)cc(-c2ccc(C[NH2+]CCc3ccccc3)o2)c1 ZINC000022076550 212276841 /nfs/dbraw/zinc/27/68/41/212276841.db2.gz CFWLXUCEGANJSN-UHFFFAOYSA-N 1 0 346.257 5.586 50 0 EKAARO Fc1ccccc1CC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000022076583 212277234 /nfs/dbraw/zinc/27/72/34/212277234.db2.gz UTYPJORLHUQUQU-UHFFFAOYSA-N 1 0 329.802 5.071 50 0 EKAARO Fc1ccc(CC[NH2+]Cc2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000022076585 212276184 /nfs/dbraw/zinc/27/61/84/212276184.db2.gz QEPXPKYCKHGXAV-UHFFFAOYSA-N 1 0 329.802 5.071 50 0 EKAARO Clc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)c(Cl)c1 ZINC000022076813 212276505 /nfs/dbraw/zinc/27/65/05/212276505.db2.gz RWHAKPZZNLXNMB-UHFFFAOYSA-N 1 0 346.257 5.586 50 0 EKAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCc2ccccc2)o1 ZINC000022076815 212276346 /nfs/dbraw/zinc/27/63/46/212276346.db2.gz FMVIOPJDDCOOFP-UHFFFAOYSA-N 1 0 325.839 5.241 50 0 EKAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCc2ccccc2F)o1 ZINC000022076830 202078696 /nfs/dbraw/zinc/07/86/96/202078696.db2.gz KYYUHMCPPOCULN-UHFFFAOYSA-N 1 0 343.829 5.380 50 0 EKAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCc2ccc(F)cc2)o1 ZINC000022076836 212276960 /nfs/dbraw/zinc/27/69/60/212276960.db2.gz MTBHPKUSPFKASQ-UHFFFAOYSA-N 1 0 343.829 5.380 50 0 EKAARO COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1C)oc(C)c2-c1ccccc1 ZINC000022077734 563918442 /nfs/dbraw/zinc/91/84/42/563918442.db2.gz DJWXEXLOUZGHIB-INIZCTEOSA-N 1 0 349.474 5.791 50 0 EKAARO COc1cc2c(cc1C[N@@H+]1CCCC[C@H]1C)oc(C)c2-c1ccccc1 ZINC000022077736 563918409 /nfs/dbraw/zinc/91/84/09/563918409.db2.gz DJWXEXLOUZGHIB-MRXNPFEDSA-N 1 0 349.474 5.791 50 0 EKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2cccs2)[C@@H]3CCC1 ZINC000022078027 212276661 /nfs/dbraw/zinc/27/66/61/212276661.db2.gz CXFWBZIYSUWSTE-HXUWFJFHSA-N 1 0 336.504 5.295 50 0 EKAARO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2cccs2)[C@H]3CCC1 ZINC000022078030 212276324 /nfs/dbraw/zinc/27/63/24/212276324.db2.gz CXFWBZIYSUWSTE-FQEVSTJZSA-N 1 0 336.504 5.295 50 0 EKAARO Fc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1Cl ZINC000022107457 212277809 /nfs/dbraw/zinc/27/78/09/212277809.db2.gz YDQIGUFPIJYCFW-UHFFFAOYSA-N 1 0 329.802 5.071 50 0 EKAARO Fc1ccc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)cc1Cl ZINC000022107475 202079931 /nfs/dbraw/zinc/07/99/31/202079931.db2.gz CGEITMMLZBQPMG-UHFFFAOYSA-N 1 0 347.792 5.211 50 0 EKAARO Fc1ccc(CC[NH2+]Cc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 ZINC000022107479 202080074 /nfs/dbraw/zinc/08/00/74/202080074.db2.gz GHRVJURKCBEXKA-UHFFFAOYSA-N 1 0 347.792 5.211 50 0 EKAARO CC(C)C[N@H+](C)Cc1csc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000022343620 212291718 /nfs/dbraw/zinc/29/17/18/212291718.db2.gz OWIRYNXFCFXYOH-UHFFFAOYSA-N 1 0 343.323 5.129 50 0 EKAARO c1csc(C[NH+]2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000022643932 212313210 /nfs/dbraw/zinc/31/32/10/212313210.db2.gz WAPJEYZOPVTPDV-UHFFFAOYSA-N 1 0 347.527 5.870 50 0 EKAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1Cl ZINC000022776996 212324039 /nfs/dbraw/zinc/32/40/39/212324039.db2.gz BNXJFFAETACYOV-CYBMUJFWSA-N 1 0 346.261 5.030 50 0 EKAARO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1Cl ZINC000022777001 212323889 /nfs/dbraw/zinc/32/38/89/212323889.db2.gz BNXJFFAETACYOV-ZDUSSCGKSA-N 1 0 346.261 5.030 50 0 EKAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000022783549 212323432 /nfs/dbraw/zinc/32/34/32/212323432.db2.gz AOBRHPCJQDRWFN-CYBMUJFWSA-N 1 0 346.261 5.030 50 0 EKAARO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000022783555 212323187 /nfs/dbraw/zinc/32/31/87/212323187.db2.gz AOBRHPCJQDRWFN-ZDUSSCGKSA-N 1 0 346.261 5.030 50 0 EKAARO c1ccc2cc(CN3CC[N@@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)ccc2c1 ZINC000022860953 564129102 /nfs/dbraw/zinc/12/91/02/564129102.db2.gz IKAFQONNWBCPOP-ZEQRLZLVSA-N 1 0 348.534 5.069 50 0 EKAARO c1ccc(Oc2cccc(OCCCCC[NH+]3CCCCC3)c2)cc1 ZINC000023115558 202097846 /nfs/dbraw/zinc/09/78/46/202097846.db2.gz FCSRZYHXEGGMLX-UHFFFAOYSA-N 1 0 339.479 5.514 50 0 EKAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000023283032 212366131 /nfs/dbraw/zinc/36/61/31/212366131.db2.gz ZRYJNMRAZMEDCD-SFHVURJKSA-N 1 0 331.459 5.093 50 0 EKAARO C[C@H](CCc1ccc(O)cc1)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000023283033 212366607 /nfs/dbraw/zinc/36/66/07/212366607.db2.gz ZRYJNMRAZMEDCD-GOSISDBHSA-N 1 0 331.459 5.093 50 0 EKAARO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000023543024 212381869 /nfs/dbraw/zinc/38/18/69/212381869.db2.gz OJBNGXBDQXKKOH-UHFFFAOYSA-N 1 0 338.476 5.091 50 0 EKAARO C[C@@H]([NH2+]Cc1cccc2cccnc21)c1cccc(C(F)(F)F)c1 ZINC000023623003 212386267 /nfs/dbraw/zinc/38/62/67/212386267.db2.gz PIAZXTFRLMRRHN-CYBMUJFWSA-N 1 0 330.353 5.104 50 0 EKAARO C[C@H]([NH2+]Cc1cccc2cccnc21)c1cccc(C(F)(F)F)c1 ZINC000023623005 212386022 /nfs/dbraw/zinc/38/60/22/212386022.db2.gz PIAZXTFRLMRRHN-ZDUSSCGKSA-N 1 0 330.353 5.104 50 0 EKAARO C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(Cl)cc1Cl ZINC000023624692 212386414 /nfs/dbraw/zinc/38/64/14/212386414.db2.gz VQLYNXMYHISVNR-GFCCVEGCSA-N 1 0 331.246 5.392 50 0 EKAARO C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc(Cl)cc1Cl ZINC000023624694 212385797 /nfs/dbraw/zinc/38/57/97/212385797.db2.gz VQLYNXMYHISVNR-LBPRGKRZSA-N 1 0 331.246 5.392 50 0 EKAARO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2)c1 ZINC000024977235 563878935 /nfs/dbraw/zinc/87/89/35/563878935.db2.gz DQCHYJVQDCJZEZ-ZWKOTPCHSA-N 1 0 346.474 5.134 50 0 EKAARO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2)c1 ZINC000024977242 202123828 /nfs/dbraw/zinc/12/38/28/202123828.db2.gz DQCHYJVQDCJZEZ-ROUUACIJSA-N 1 0 346.474 5.134 50 0 EKAARO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)c1 ZINC000024977249 202124330 /nfs/dbraw/zinc/12/43/30/202124330.db2.gz DQCHYJVQDCJZEZ-QZTJIDSGSA-N 1 0 346.474 5.134 50 0 EKAARO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)c1 ZINC000024977256 563878797 /nfs/dbraw/zinc/87/87/97/563878797.db2.gz DQCHYJVQDCJZEZ-MSOLQXFVSA-N 1 0 346.474 5.134 50 0 EKAARO C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccc(-n2ccnc2)cc1 ZINC000025356172 563883757 /nfs/dbraw/zinc/88/37/57/563883757.db2.gz XFDKAMONNPEHGL-CYBMUJFWSA-N 1 0 346.261 5.030 50 0 EKAARO C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccc(-n2ccnc2)cc1 ZINC000025356176 563883623 /nfs/dbraw/zinc/88/36/23/563883623.db2.gz XFDKAMONNPEHGL-ZDUSSCGKSA-N 1 0 346.261 5.030 50 0 EKAARO c1ccc(Oc2cccc(C[NH2+][C@@H]3CCOc4ccccc43)c2)cc1 ZINC000025356941 564037149 /nfs/dbraw/zinc/03/71/49/564037149.db2.gz RINAHKMYAKAYAZ-OAQYLSRUSA-N 1 0 331.415 5.092 50 0 EKAARO c1ccc(Oc2cccc(C[NH2+][C@H]3CCOc4ccccc43)c2)cc1 ZINC000025356946 564037143 /nfs/dbraw/zinc/03/71/43/564037143.db2.gz RINAHKMYAKAYAZ-NRFANRHFSA-N 1 0 331.415 5.092 50 0 EKAARO CCn1c2ccccc2c2cc(C[NH2+][C@@H](C)c3ccccn3)ccc21 ZINC000025358999 564037180 /nfs/dbraw/zinc/03/71/80/564037180.db2.gz YYOFEZBGVTWQDK-INIZCTEOSA-N 1 0 329.447 5.060 50 0 EKAARO CCn1c2ccccc2c2cc(C[NH2+][C@H](C)c3ccccn3)ccc21 ZINC000025359003 564037193 /nfs/dbraw/zinc/03/71/93/564037193.db2.gz YYOFEZBGVTWQDK-MRXNPFEDSA-N 1 0 329.447 5.060 50 0 EKAARO Clc1ccc([C@H](c2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000025747542 563887740 /nfs/dbraw/zinc/88/77/40/563887740.db2.gz CXCQFEOQOQSCFQ-QFIPXVFZSA-N 1 0 333.862 5.488 50 0 EKAARO Clc1ccc([C@@H](c2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000025747547 563887667 /nfs/dbraw/zinc/88/76/67/563887667.db2.gz CXCQFEOQOQSCFQ-JOCHJYFZSA-N 1 0 333.862 5.488 50 0 EKAARO c1ccc2cc(CC[NH2+]CCc3ccc4ccccc4c3)ccc2c1 ZINC000025762051 563888052 /nfs/dbraw/zinc/88/80/52/563888052.db2.gz MQMZJSAOZAXNPK-UHFFFAOYSA-N 1 0 325.455 5.368 50 0 EKAARO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000026307407 564039570 /nfs/dbraw/zinc/03/95/70/564039570.db2.gz GXBBHVCKHVYLCA-CYBMUJFWSA-N 1 0 346.261 5.030 50 0 EKAARO C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000026307411 564081806 /nfs/dbraw/zinc/08/18/06/564081806.db2.gz GXBBHVCKHVYLCA-ZDUSSCGKSA-N 1 0 346.261 5.030 50 0 EKAARO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(-n2ccnc2)cc1 ZINC000026307415 202141738 /nfs/dbraw/zinc/14/17/38/202141738.db2.gz IIDJVTOECIROSS-CYBMUJFWSA-N 1 0 346.261 5.030 50 0 EKAARO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(-n2ccnc2)cc1 ZINC000026307419 202142043 /nfs/dbraw/zinc/14/20/43/202142043.db2.gz IIDJVTOECIROSS-ZDUSSCGKSA-N 1 0 346.261 5.030 50 0 EKAARO CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)c1C ZINC000027453047 563895844 /nfs/dbraw/zinc/89/58/44/563895844.db2.gz ZNKQJWGTRKMOPH-JOCHJYFZSA-N 1 0 341.470 5.440 50 0 EKAARO CC(=O)c1c(C)cc(C)c(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)c1C ZINC000027453050 563895779 /nfs/dbraw/zinc/89/57/79/563895779.db2.gz ZNKQJWGTRKMOPH-QFIPXVFZSA-N 1 0 341.470 5.440 50 0 EKAARO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000028427002 563902864 /nfs/dbraw/zinc/90/28/64/563902864.db2.gz RIPNXCCADZAVGU-PGBRGIIUSA-N 1 0 337.429 5.400 50 0 EKAARO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000028427009 563902877 /nfs/dbraw/zinc/90/28/77/563902877.db2.gz RIPNXCCADZAVGU-IWUURBKTSA-N 1 0 337.429 5.400 50 0 EKAARO C[C@]12CC3CC([NH2+]Cc4ccccc4C(F)(F)F)(C1)C[C@@](C)(C3)C2 ZINC000028427029 564045702 /nfs/dbraw/zinc/04/57/02/564045702.db2.gz AKQOMWMYVCDACG-KOCGSPDRSA-N 1 0 337.429 5.544 50 0 EKAARO CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000028427593 564045720 /nfs/dbraw/zinc/04/57/20/564045720.db2.gz MZIXNDWYWROEBK-UHFFFAOYSA-N 1 0 338.278 5.380 50 0 EKAARO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]C2CC2)cc1 ZINC000028427703 564045746 /nfs/dbraw/zinc/04/57/46/564045746.db2.gz DBWOSQRQYJTIJG-UHFFFAOYSA-N 1 0 336.262 5.133 50 0 EKAARO CC(C)(C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028427809 564045732 /nfs/dbraw/zinc/04/57/32/564045732.db2.gz AFMMFUPVJIRVQP-UHFFFAOYSA-N 1 0 338.278 5.461 50 0 EKAARO CC(C)(C)[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028427816 564045759 /nfs/dbraw/zinc/04/57/59/564045759.db2.gz SCBISJCKRFPYIJ-UHFFFAOYSA-N 1 0 326.871 5.231 50 0 EKAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028427952 212618651 /nfs/dbraw/zinc/61/86/51/212618651.db2.gz AEECSGGLBWYYDO-UHFFFAOYSA-N 1 0 338.278 5.462 50 0 EKAARO CCCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028427956 563902854 /nfs/dbraw/zinc/90/28/54/563902854.db2.gz DKTSXVCVRVVNFH-UHFFFAOYSA-N 1 0 326.871 5.233 50 0 EKAARO Clc1ccccc1Cn1cc(C[NH2+]C2CCCC2)c2ccccc21 ZINC000028427961 563902887 /nfs/dbraw/zinc/90/28/87/563902887.db2.gz PWQIKGAJAUMYPU-UHFFFAOYSA-N 1 0 338.882 5.375 50 0 EKAARO CCCCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428113 563902851 /nfs/dbraw/zinc/90/28/51/563902851.db2.gz KGVPEULSLCWDNB-UHFFFAOYSA-N 1 0 340.898 5.623 50 0 EKAARO CC(C)C[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428128 564045727 /nfs/dbraw/zinc/04/57/27/564045727.db2.gz PENITRJRWVALGF-UHFFFAOYSA-N 1 0 338.278 5.318 50 0 EKAARO CC(C)C[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428135 564045722 /nfs/dbraw/zinc/04/57/22/564045722.db2.gz QQYUYFSFIOGTES-UHFFFAOYSA-N 1 0 326.871 5.089 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428140 564092757 /nfs/dbraw/zinc/09/27/57/564092757.db2.gz NYYGKECBKGKTRM-CYBMUJFWSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428146 564092739 /nfs/dbraw/zinc/09/27/39/564092739.db2.gz NYYGKECBKGKTRM-ZDUSSCGKSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428151 563902910 /nfs/dbraw/zinc/90/29/10/563902910.db2.gz FCNKNSFIWQQMBE-OAHLLOKOSA-N 1 0 326.871 5.231 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428160 563902849 /nfs/dbraw/zinc/90/28/49/563902849.db2.gz FCNKNSFIWQQMBE-HNNXBMFYSA-N 1 0 326.871 5.231 50 0 EKAARO C[C@@H]([NH2+]Cc1csc(Br)c1)c1cc2ccccc2o1 ZINC000030545637 212700776 /nfs/dbraw/zinc/70/07/76/212700776.db2.gz SLHULNKZXUQUOS-SNVBAGLBSA-N 1 0 336.254 5.108 50 0 EKAARO C[C@H]([NH2+]Cc1csc(Br)c1)c1cc2ccccc2o1 ZINC000030545639 564049715 /nfs/dbraw/zinc/04/97/15/564049715.db2.gz SLHULNKZXUQUOS-JTQLQIEISA-N 1 0 336.254 5.108 50 0 EKAARO CC1(C)C[C@@H]([NH2+]CCC2(Cc3ccc(Cl)cc3)CCCC2)CCO1 ZINC000032070596 564160587 /nfs/dbraw/zinc/16/05/87/564160587.db2.gz NEZMUALSXJTYKM-IBGZPJMESA-N 1 0 349.946 5.380 50 0 EKAARO CC1(C)C[C@H]([NH2+]CCC2(Cc3ccc(Cl)cc3)CCCC2)CCO1 ZINC000032070599 212785373 /nfs/dbraw/zinc/78/53/73/212785373.db2.gz NEZMUALSXJTYKM-LJQANCHMSA-N 1 0 349.946 5.380 50 0 EKAARO CC1(C)C[C@@H]([NH2+]CCC2(c3ccc(Cl)cc3)CCCC2)CCO1 ZINC000032071839 212785239 /nfs/dbraw/zinc/78/52/39/212785239.db2.gz VMTXKFXPEAABJT-SFHVURJKSA-N 1 0 335.919 5.089 50 0 EKAARO CC1(C)C[C@H]([NH2+]CCC2(c3ccc(Cl)cc3)CCCC2)CCO1 ZINC000032071842 202220364 /nfs/dbraw/zinc/22/03/64/202220364.db2.gz VMTXKFXPEAABJT-GOSISDBHSA-N 1 0 335.919 5.089 50 0 EKAARO CC1(C)C[C@@H]([NH2+]CCC2(Cc3ccc(F)cc3)CCCCC2)CCO1 ZINC000032073368 564160615 /nfs/dbraw/zinc/16/06/15/564160615.db2.gz XXFKJHGZDOLLAF-FQEVSTJZSA-N 1 0 347.518 5.256 50 0 EKAARO CC1(C)C[C@H]([NH2+]CCC2(Cc3ccc(F)cc3)CCCCC2)CCO1 ZINC000032073370 564160613 /nfs/dbraw/zinc/16/06/13/564160613.db2.gz XXFKJHGZDOLLAF-HXUWFJFHSA-N 1 0 347.518 5.256 50 0 EKAARO CC1(C)C[C@@H]([NH2+]CCC2(c3ccc(Cl)cc3)CCCCC2)CCO1 ZINC000032097240 202221428 /nfs/dbraw/zinc/22/14/28/202221428.db2.gz QAAJVRXJHJTBRW-IBGZPJMESA-N 1 0 349.946 5.479 50 0 EKAARO CC1(C)C[C@H]([NH2+]CCC2(c3ccc(Cl)cc3)CCCCC2)CCO1 ZINC000032097242 202221644 /nfs/dbraw/zinc/22/16/44/202221644.db2.gz QAAJVRXJHJTBRW-LJQANCHMSA-N 1 0 349.946 5.479 50 0 EKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000032124174 564160910 /nfs/dbraw/zinc/16/09/10/564160910.db2.gz ULEQXDNKKGBCBW-CTNGQTDRSA-N 1 0 347.543 5.151 50 0 EKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000032124175 212791077 /nfs/dbraw/zinc/79/10/77/212791077.db2.gz ULEQXDNKKGBCBW-TZIWHRDSSA-N 1 0 347.543 5.151 50 0 EKAARO CC(C)Oc1ccc([C@@H](CC[NH2+][C@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000032124176 564160920 /nfs/dbraw/zinc/16/09/20/564160920.db2.gz ULEQXDNKKGBCBW-FPOVZHCZSA-N 1 0 347.543 5.151 50 0 EKAARO CC(C)Oc1ccc([C@H](CC[NH2+][C@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000032124177 564160914 /nfs/dbraw/zinc/16/09/14/564160914.db2.gz ULEQXDNKKGBCBW-PZJWPPBQSA-N 1 0 347.543 5.151 50 0 EKAARO C[C@@H]([NH2+]Cc1sc2ccccc2c1Cl)c1ccccc1Cl ZINC000032740410 563720932 /nfs/dbraw/zinc/72/09/32/563720932.db2.gz QOQKWLOXPJVUAW-LLVKDONJSA-N 1 0 336.287 6.059 50 0 EKAARO C[C@H]([NH2+]Cc1sc2ccccc2c1Cl)c1ccccc1Cl ZINC000032740411 563721077 /nfs/dbraw/zinc/72/10/77/563721077.db2.gz QOQKWLOXPJVUAW-NSHDSACASA-N 1 0 336.287 6.059 50 0 EKAARO CC(C)[C@@H]([NH2+]Cc1csc(-c2ccsc2)n1)c1cccs1 ZINC000032764883 563729192 /nfs/dbraw/zinc/72/91/92/563729192.db2.gz BHWYUNYYRQZXRA-OAHLLOKOSA-N 1 0 334.535 5.420 50 0 EKAARO CC(C)[C@H]([NH2+]Cc1csc(-c2ccsc2)n1)c1cccs1 ZINC000032764885 563729148 /nfs/dbraw/zinc/72/91/48/563729148.db2.gz BHWYUNYYRQZXRA-HNNXBMFYSA-N 1 0 334.535 5.420 50 0 EKAARO Fc1cc2cccnc2c(C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000032825156 563755955 /nfs/dbraw/zinc/75/59/55/563755955.db2.gz JLZAWKXMCUUXTF-UHFFFAOYSA-N 1 0 342.417 5.253 50 0 EKAARO c1cc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccccc3)cs2)cs1 ZINC000032889927 202239671 /nfs/dbraw/zinc/23/96/71/202239671.db2.gz VOIFGICFOYTODQ-KRWDZBQOSA-N 1 0 326.490 5.209 50 0 EKAARO c1cc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccccc3)cs2)cs1 ZINC000032889929 563782404 /nfs/dbraw/zinc/78/24/04/563782404.db2.gz VOIFGICFOYTODQ-QGZVFWFLSA-N 1 0 326.490 5.209 50 0 EKAARO Cc1oc(-c2ccccc2)nc1C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000032901333 563786852 /nfs/dbraw/zinc/78/68/52/563786852.db2.gz DKAUPEUXZJNSFF-OAQYLSRUSA-N 1 0 332.447 5.159 50 0 EKAARO Cc1oc(-c2ccccc2)nc1C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000032901334 202240390 /nfs/dbraw/zinc/24/03/90/202240390.db2.gz DKAUPEUXZJNSFF-NRFANRHFSA-N 1 0 332.447 5.159 50 0 EKAARO Cc1c(C)n(-c2ccccc2)c2ncnc(Nc3ccc(C)c(C)c3)c12 ZINC000032960420 563916468 /nfs/dbraw/zinc/91/64/68/563916468.db2.gz UCPVQNWLFTYDTN-UHFFFAOYSA-N 1 0 342.446 5.398 50 0 EKAARO Cc1c(C)n(-c2cccc(F)c2)c2ncnc(Nc3ccccc3C)c12 ZINC000032960443 563916434 /nfs/dbraw/zinc/91/64/34/563916434.db2.gz NYNDYCHXAAYQCM-UHFFFAOYSA-N 1 0 346.409 5.228 50 0 EKAARO c1csc(-c2n[nH]cc2C[N@@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087080 202249958 /nfs/dbraw/zinc/24/99/58/202249958.db2.gz YFPGSVQCKBYIQU-HNNXBMFYSA-N 1 0 343.521 5.317 50 0 EKAARO c1csc(-c2n[nH]cc2C[N@@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087081 563914833 /nfs/dbraw/zinc/91/48/33/563914833.db2.gz YFPGSVQCKBYIQU-OAHLLOKOSA-N 1 0 343.521 5.317 50 0 EKAARO c1csc([C@@H]2CCCCC[N@H+]2Cc2c[nH]nc2-c2ccccc2)c1 ZINC000033087082 563914884 /nfs/dbraw/zinc/91/48/84/563914884.db2.gz PGNCKXXCOVGMRK-SFHVURJKSA-N 1 0 337.492 5.256 50 0 EKAARO c1csc([C@H]2CCCCC[N@H+]2Cc2c[nH]nc2-c2ccccc2)c1 ZINC000033087083 563914974 /nfs/dbraw/zinc/91/49/74/563914974.db2.gz PGNCKXXCOVGMRK-GOSISDBHSA-N 1 0 337.492 5.256 50 0 EKAARO FC(F)(F)c1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087118 563915037 /nfs/dbraw/zinc/91/50/37/563915037.db2.gz JKTOHMKGDDGDPT-MRXNPFEDSA-N 1 0 339.426 5.884 50 0 EKAARO FC(F)(F)c1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087119 563915032 /nfs/dbraw/zinc/91/50/32/563915032.db2.gz JKTOHMKGDDGDPT-INIZCTEOSA-N 1 0 339.426 5.884 50 0 EKAARO CSc1ccc(C[N@@H+]2CCCCC[C@@H]2c2sccc2C)cc1 ZINC000033087186 563914987 /nfs/dbraw/zinc/91/49/87/563914987.db2.gz WKCHNRODVILGCT-GOSISDBHSA-N 1 0 331.550 5.896 50 0 EKAARO CSc1ccc(C[N@@H+]2CCCCC[C@H]2c2sccc2C)cc1 ZINC000033087187 563914922 /nfs/dbraw/zinc/91/49/22/563914922.db2.gz WKCHNRODVILGCT-SFHVURJKSA-N 1 0 331.550 5.896 50 0 EKAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2sccc2C)c(OC)c1 ZINC000033087192 563915007 /nfs/dbraw/zinc/91/50/07/563915007.db2.gz UYRHIPZDODLVFY-GOSISDBHSA-N 1 0 345.508 5.191 50 0 EKAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2sccc2C)c(OC)c1 ZINC000033087193 563914909 /nfs/dbraw/zinc/91/49/09/563914909.db2.gz UYRHIPZDODLVFY-SFHVURJKSA-N 1 0 345.508 5.191 50 0 EKAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)s2)c(OC)c1 ZINC000033087194 202249563 /nfs/dbraw/zinc/24/95/63/202249563.db2.gz AAFBFGHUCCUPSU-GOSISDBHSA-N 1 0 345.508 5.191 50 0 EKAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)s2)c(OC)c1 ZINC000033087195 202249179 /nfs/dbraw/zinc/24/91/79/202249179.db2.gz AAFBFGHUCCUPSU-SFHVURJKSA-N 1 0 345.508 5.191 50 0 EKAARO CCCOc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087238 202249604 /nfs/dbraw/zinc/24/96/04/202249604.db2.gz YSMYTPLGQWFXIA-LJQANCHMSA-N 1 0 329.509 5.654 50 0 EKAARO CCCOc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087239 202249402 /nfs/dbraw/zinc/24/94/02/202249402.db2.gz YSMYTPLGQWFXIA-IBGZPJMESA-N 1 0 329.509 5.654 50 0 EKAARO COc1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)cc2)c1OC ZINC000033087252 563915002 /nfs/dbraw/zinc/91/50/02/563915002.db2.gz SHCNJHVOYXGOHU-HXUWFJFHSA-N 1 0 339.479 5.130 50 0 EKAARO COc1cccc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)cc2)c1OC ZINC000033087253 563914932 /nfs/dbraw/zinc/91/49/32/563914932.db2.gz SHCNJHVOYXGOHU-FQEVSTJZSA-N 1 0 339.479 5.130 50 0 EKAARO COc1cccc(C[N@@H+]2CCCCC[C@@H]2c2cccc(C)c2)c1OC ZINC000033087254 563915185 /nfs/dbraw/zinc/91/51/85/563915185.db2.gz CHOIZHDIGCAKJL-HXUWFJFHSA-N 1 0 339.479 5.130 50 0 EKAARO COc1cccc(C[N@@H+]2CCCCC[C@H]2c2cccc(C)c2)c1OC ZINC000033087255 563915123 /nfs/dbraw/zinc/91/51/23/563915123.db2.gz CHOIZHDIGCAKJL-FQEVSTJZSA-N 1 0 339.479 5.130 50 0 EKAARO COc1cccc(C[N@@H+]2CCCCC[C@@H]2c2sccc2C)c1OC ZINC000033087260 563915134 /nfs/dbraw/zinc/91/51/34/563915134.db2.gz ZFPANEMSPOLRGT-QGZVFWFLSA-N 1 0 345.508 5.191 50 0 EKAARO COc1cccc(C[N@@H+]2CCCCC[C@H]2c2sccc2C)c1OC ZINC000033087261 563915079 /nfs/dbraw/zinc/91/50/79/563915079.db2.gz ZFPANEMSPOLRGT-KRWDZBQOSA-N 1 0 345.508 5.191 50 0 EKAARO COc1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccc(C)s2)c1OC ZINC000033087262 202249670 /nfs/dbraw/zinc/24/96/70/202249670.db2.gz OQYUCARTAIIEIG-QGZVFWFLSA-N 1 0 345.508 5.191 50 0 EKAARO COc1cccc(C[N@@H+]2CCCCC[C@H]2c2ccc(C)s2)c1OC ZINC000033087263 563915117 /nfs/dbraw/zinc/91/51/17/563915117.db2.gz OQYUCARTAIIEIG-KRWDZBQOSA-N 1 0 345.508 5.191 50 0 EKAARO CCOc1ccccc1C[N@@H+]1CCCCC[C@@H]1c1sccc1C ZINC000033087268 563915097 /nfs/dbraw/zinc/91/50/97/563915097.db2.gz JNIDDCVZWWXRJE-GOSISDBHSA-N 1 0 329.509 5.573 50 0 EKAARO CCOc1ccccc1C[N@@H+]1CCCCC[C@H]1c1sccc1C ZINC000033087269 563915094 /nfs/dbraw/zinc/91/50/94/563915094.db2.gz JNIDDCVZWWXRJE-SFHVURJKSA-N 1 0 329.509 5.573 50 0 EKAARO CCOc1ccccc1C[N@@H+]1CCCCC[C@@H]1c1ccc(C)s1 ZINC000033087270 563915083 /nfs/dbraw/zinc/91/50/83/563915083.db2.gz VZWKQTBPCZEZNF-GOSISDBHSA-N 1 0 329.509 5.573 50 0 EKAARO CCOc1ccccc1C[N@@H+]1CCCCC[C@H]1c1ccc(C)s1 ZINC000033087271 202249500 /nfs/dbraw/zinc/24/95/00/202249500.db2.gz VZWKQTBPCZEZNF-SFHVURJKSA-N 1 0 329.509 5.573 50 0 EKAARO CC(C)Oc1ccccc1C[N@@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087286 563915069 /nfs/dbraw/zinc/91/50/69/563915069.db2.gz ZBFSHVMKGMRPMJ-GOSISDBHSA-N 1 0 329.509 5.653 50 0 EKAARO CC(C)Oc1ccccc1C[N@@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087287 563915146 /nfs/dbraw/zinc/91/51/46/563915146.db2.gz ZBFSHVMKGMRPMJ-SFHVURJKSA-N 1 0 329.509 5.653 50 0 EKAARO CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1OC ZINC000033087310 563915100 /nfs/dbraw/zinc/91/51/00/563915100.db2.gz JZXQDJOWNKKPSM-QGZVFWFLSA-N 1 0 345.508 5.273 50 0 EKAARO CCOc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1OC ZINC000033087311 563915064 /nfs/dbraw/zinc/91/50/64/563915064.db2.gz JZXQDJOWNKKPSM-KRWDZBQOSA-N 1 0 345.508 5.273 50 0 EKAARO CC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000033463070 564050198 /nfs/dbraw/zinc/05/01/98/564050198.db2.gz TUZZXWKYLNDHEQ-UHFFFAOYSA-N 1 0 325.839 5.182 50 0 EKAARO CCCC[N@@H+]1CC[C@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000033639111 563916336 /nfs/dbraw/zinc/91/63/36/563916336.db2.gz LDCAVJYDEQRFHB-SFTDATJTSA-N 1 0 343.898 5.320 50 0 EKAARO CCCC[N@@H+]1CC[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000033639112 563916369 /nfs/dbraw/zinc/91/63/69/563916369.db2.gz LDCAVJYDEQRFHB-RTWAWAEBSA-N 1 0 343.898 5.320 50 0 EKAARO CC(C)(C)[N@@H+]1CC[C@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000033639148 563916365 /nfs/dbraw/zinc/91/63/65/563916365.db2.gz UIPXASUPMLVUNE-PMACEKPBSA-N 1 0 343.898 5.319 50 0 EKAARO CC(C)(C)[N@@H+]1CC[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000033639149 563916332 /nfs/dbraw/zinc/91/63/32/563916332.db2.gz UIPXASUPMLVUNE-UXHICEINSA-N 1 0 343.898 5.319 50 0 EKAARO C[N@H+](Cc1ccccc1)Cc1cncc(-c2cc3ccccc3s2)c1 ZINC000034670307 563445234 /nfs/dbraw/zinc/44/52/34/563445234.db2.gz SBOWLCKNTOSJHW-UHFFFAOYSA-N 1 0 344.483 5.595 50 0 EKAARO CC(C)=CCC[C@H](C)CC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000034863235 202279035 /nfs/dbraw/zinc/27/90/35/202279035.db2.gz FYIKXLUYUAQQLO-FQEVSTJZSA-N 1 0 328.544 5.013 50 0 EKAARO CC(C)=CCC[C@@H](C)CC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000034863237 202279209 /nfs/dbraw/zinc/27/92/09/202279209.db2.gz FYIKXLUYUAQQLO-HXUWFJFHSA-N 1 0 328.544 5.013 50 0 EKAARO CC(C)CC[N@H+](Cc1cccn1Cc1ccccc1)Cc1ccccc1 ZINC000035840968 213050185 /nfs/dbraw/zinc/05/01/85/213050185.db2.gz PQJWWVNLDBHPBN-UHFFFAOYSA-N 1 0 346.518 5.585 50 0 EKAARO Cc1cc(C)c(N2C=[N+](c3c(C(C)C)cccc3C(C)C)CC2)c(C)c1 ZINC000035942824 213052932 /nfs/dbraw/zinc/05/29/32/213052932.db2.gz CARCZVXQZOXVEI-UHFFFAOYSA-N 1 0 349.542 6.051 50 0 EKAARO CCC[N@@H+](Cc1ccsc1)Cc1ccc(C(O)(CCC)CCC)o1 ZINC000036202931 202318587 /nfs/dbraw/zinc/31/85/87/202318587.db2.gz HGMAXKSDRBLDIT-UHFFFAOYSA-N 1 0 349.540 5.541 50 0 EKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000036347236 213086518 /nfs/dbraw/zinc/08/65/18/213086518.db2.gz SRSTXZBRJXZNGZ-QHCPKHFHSA-N 1 0 330.475 5.100 50 0 EKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000036347237 213084940 /nfs/dbraw/zinc/08/49/40/213084940.db2.gz SRSTXZBRJXZNGZ-HSZRJFAPSA-N 1 0 330.475 5.100 50 0 EKAARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C)cc1 ZINC000036347262 213085337 /nfs/dbraw/zinc/08/53/37/213085337.db2.gz ZCIKYJNLZMYMCQ-HSZRJFAPSA-N 1 0 330.475 5.100 50 0 EKAARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C)cc1 ZINC000036347263 213086431 /nfs/dbraw/zinc/08/64/31/213086431.db2.gz ZCIKYJNLZMYMCQ-QHCPKHFHSA-N 1 0 330.475 5.100 50 0 EKAARO Clc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1 ZINC000036347446 213086455 /nfs/dbraw/zinc/08/64/55/213086455.db2.gz GSCVMXRFOCLLOK-NRFANRHFSA-N 1 0 336.866 5.137 50 0 EKAARO Clc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1 ZINC000036347447 202321929 /nfs/dbraw/zinc/32/19/29/202321929.db2.gz GSCVMXRFOCLLOK-OAQYLSRUSA-N 1 0 336.866 5.137 50 0 EKAARO Clc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)c1 ZINC000036347530 213087104 /nfs/dbraw/zinc/08/71/04/213087104.db2.gz CUTIPZZZJAUBIY-NRFANRHFSA-N 1 0 336.866 5.137 50 0 EKAARO Clc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)c1 ZINC000036347531 213085201 /nfs/dbraw/zinc/08/52/01/213085201.db2.gz CUTIPZZZJAUBIY-OAQYLSRUSA-N 1 0 336.866 5.137 50 0 EKAARO CCc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000036347626 213085847 /nfs/dbraw/zinc/08/58/47/213085847.db2.gz ODRFMXJCKJHKQW-QHCPKHFHSA-N 1 0 348.465 5.185 50 0 EKAARO CCc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000036347627 213085711 /nfs/dbraw/zinc/08/57/11/213085711.db2.gz ODRFMXJCKJHKQW-HSZRJFAPSA-N 1 0 348.465 5.185 50 0 EKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(F)cc1 ZINC000036347640 213085944 /nfs/dbraw/zinc/08/59/44/213085944.db2.gz GVORMFJVDHICEZ-QHCPKHFHSA-N 1 0 348.465 5.185 50 0 EKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(F)cc1 ZINC000036347641 213086250 /nfs/dbraw/zinc/08/62/50/213086250.db2.gz GVORMFJVDHICEZ-HSZRJFAPSA-N 1 0 348.465 5.185 50 0 EKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccccc1F ZINC000036347851 213085644 /nfs/dbraw/zinc/08/56/44/213085644.db2.gz ICPYNZQFSAUXSP-QHCPKHFHSA-N 1 0 348.465 5.185 50 0 EKAARO CCc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccccc1F ZINC000036347852 202322008 /nfs/dbraw/zinc/32/20/08/202322008.db2.gz ICPYNZQFSAUXSP-HSZRJFAPSA-N 1 0 348.465 5.185 50 0 EKAARO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000036347925 213086989 /nfs/dbraw/zinc/08/69/89/213086989.db2.gz DGRIESMYEGPKEM-DEOSSOPVSA-N 1 0 344.502 5.607 50 0 EKAARO CC(C)c1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000036347926 213085987 /nfs/dbraw/zinc/08/59/87/213085987.db2.gz DGRIESMYEGPKEM-XMMPIXPASA-N 1 0 344.502 5.607 50 0 EKAARO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1 ZINC000036348029 202322181 /nfs/dbraw/zinc/32/21/81/202322181.db2.gz MTWSZTPCMQIHGD-XMMPIXPASA-N 1 0 344.502 5.607 50 0 EKAARO CC(C)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1 ZINC000036348030 213087114 /nfs/dbraw/zinc/08/71/14/213087114.db2.gz MTWSZTPCMQIHGD-DEOSSOPVSA-N 1 0 344.502 5.607 50 0 EKAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000036348039 213086263 /nfs/dbraw/zinc/08/62/63/213086263.db2.gz HNNKOXLCCDZKLC-XMMPIXPASA-N 1 0 344.502 5.354 50 0 EKAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000036348040 213085858 /nfs/dbraw/zinc/08/58/58/213085858.db2.gz HNNKOXLCCDZKLC-DEOSSOPVSA-N 1 0 344.502 5.354 50 0 EKAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000036348053 202321889 /nfs/dbraw/zinc/32/18/89/202321889.db2.gz BBBPIBHLQNANIY-HSZRJFAPSA-N 1 0 348.465 5.185 50 0 EKAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000036348054 202321601 /nfs/dbraw/zinc/32/16/01/202321601.db2.gz BBBPIBHLQNANIY-QHCPKHFHSA-N 1 0 348.465 5.185 50 0 EKAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2F)cc1 ZINC000036348063 213086799 /nfs/dbraw/zinc/08/67/99/213086799.db2.gz RGXQAGVTZWTFSK-HSZRJFAPSA-N 1 0 348.465 5.185 50 0 EKAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2F)cc1 ZINC000036348064 213085276 /nfs/dbraw/zinc/08/52/76/213085276.db2.gz RGXQAGVTZWTFSK-QHCPKHFHSA-N 1 0 348.465 5.185 50 0 EKAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1 ZINC000036348067 213086369 /nfs/dbraw/zinc/08/63/69/213086369.db2.gz CSCIZPYUCUCFBR-HSZRJFAPSA-N 1 0 330.475 5.046 50 0 EKAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1 ZINC000036348068 202321194 /nfs/dbraw/zinc/32/11/94/202321194.db2.gz CSCIZPYUCUCFBR-QHCPKHFHSA-N 1 0 330.475 5.046 50 0 EKAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC000036348075 213086440 /nfs/dbraw/zinc/08/64/40/213086440.db2.gz HMLQHABFZSHRCM-HSZRJFAPSA-N 1 0 348.465 5.185 50 0 EKAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC000036348076 213086164 /nfs/dbraw/zinc/08/61/64/213086164.db2.gz HMLQHABFZSHRCM-QHCPKHFHSA-N 1 0 348.465 5.185 50 0 EKAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C)cc1 ZINC000036348077 213085936 /nfs/dbraw/zinc/08/59/36/213085936.db2.gz YOFXZHUADUOEKB-XMMPIXPASA-N 1 0 344.502 5.354 50 0 EKAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C)cc1 ZINC000036348078 213086144 /nfs/dbraw/zinc/08/61/44/213086144.db2.gz YOFXZHUADUOEKB-DEOSSOPVSA-N 1 0 344.502 5.354 50 0 EKAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000036348081 213085137 /nfs/dbraw/zinc/08/51/37/213085137.db2.gz GCWHYSTVWITVJY-XMMPIXPASA-N 1 0 344.502 5.354 50 0 EKAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000036348082 202322210 /nfs/dbraw/zinc/32/22/10/202322210.db2.gz GCWHYSTVWITVJY-DEOSSOPVSA-N 1 0 344.502 5.354 50 0 EKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)cc1 ZINC000036348107 213087033 /nfs/dbraw/zinc/08/70/33/213087033.db2.gz QOLGAJRXLTUDKV-DEOSSOPVSA-N 1 0 344.502 5.409 50 0 EKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)cc1 ZINC000036348108 213085098 /nfs/dbraw/zinc/08/50/98/213085098.db2.gz QOLGAJRXLTUDKV-XMMPIXPASA-N 1 0 344.502 5.409 50 0 EKAARO Cc1ccc(C)c([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2F)c1 ZINC000036348125 213084954 /nfs/dbraw/zinc/08/49/54/213084954.db2.gz RAUFOUUWKFVESA-HSZRJFAPSA-N 1 0 348.465 5.239 50 0 EKAARO Cc1ccc(C)c([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2F)c1 ZINC000036348126 213085165 /nfs/dbraw/zinc/08/51/65/213085165.db2.gz RAUFOUUWKFVESA-QHCPKHFHSA-N 1 0 348.465 5.239 50 0 EKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)c1 ZINC000036348139 213085523 /nfs/dbraw/zinc/08/55/23/213085523.db2.gz QSJLGYUBJDGJRA-DEOSSOPVSA-N 1 0 344.502 5.409 50 0 EKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c1 ZINC000036348140 213085219 /nfs/dbraw/zinc/08/52/19/213085219.db2.gz QSJLGYUBJDGJRA-XMMPIXPASA-N 1 0 344.502 5.409 50 0 EKAARO CCc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000036348249 213085577 /nfs/dbraw/zinc/08/55/77/213085577.db2.gz QQUNPKZLZCPSHA-QHCPKHFHSA-N 1 0 348.465 5.185 50 0 EKAARO CCc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000036348250 213086215 /nfs/dbraw/zinc/08/62/15/213086215.db2.gz QQUNPKZLZCPSHA-HSZRJFAPSA-N 1 0 348.465 5.185 50 0 EKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2C)c1 ZINC000036348309 213086180 /nfs/dbraw/zinc/08/61/80/213086180.db2.gz VMTPTKMNMACRPK-QHCPKHFHSA-N 1 0 330.475 5.100 50 0 EKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2C)c1 ZINC000036348310 202321513 /nfs/dbraw/zinc/32/15/13/202321513.db2.gz VMTPTKMNMACRPK-HSZRJFAPSA-N 1 0 330.475 5.100 50 0 EKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2C)c(C)c1 ZINC000036348311 213085784 /nfs/dbraw/zinc/08/57/84/213085784.db2.gz NLPCKHZPIYOUDK-DEOSSOPVSA-N 1 0 344.502 5.409 50 0 EKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2C)c(C)c1 ZINC000036348312 213086556 /nfs/dbraw/zinc/08/65/56/213086556.db2.gz NLPCKHZPIYOUDK-XMMPIXPASA-N 1 0 344.502 5.409 50 0 EKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(C)c2)cc1 ZINC000036348365 213086813 /nfs/dbraw/zinc/08/68/13/213086813.db2.gz DKKKTUZRXZZZTK-QHCPKHFHSA-N 1 0 330.475 5.100 50 0 EKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(C)c2)cc1 ZINC000036348366 213085080 /nfs/dbraw/zinc/08/50/80/213085080.db2.gz DKKKTUZRXZZZTK-HSZRJFAPSA-N 1 0 330.475 5.100 50 0 EKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(C)c2)c1 ZINC000036348401 213085003 /nfs/dbraw/zinc/08/50/03/213085003.db2.gz VCPCOHFVCRVIJW-QHCPKHFHSA-N 1 0 330.475 5.100 50 0 EKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(C)c2)c1 ZINC000036348402 213085510 /nfs/dbraw/zinc/08/55/10/213085510.db2.gz VCPCOHFVCRVIJW-HSZRJFAPSA-N 1 0 330.475 5.100 50 0 EKAARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2)c(C)c1 ZINC000036348474 213086194 /nfs/dbraw/zinc/08/61/94/213086194.db2.gz AYTIHWWOKMRHLL-HSZRJFAPSA-N 1 0 348.465 5.239 50 0 EKAARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2)c(C)c1 ZINC000036348475 213085391 /nfs/dbraw/zinc/08/53/91/213085391.db2.gz AYTIHWWOKMRHLL-QHCPKHFHSA-N 1 0 348.465 5.239 50 0 EKAARO c1ccc(Oc2ccc(-c3cncc(C[NH+]4CCCCC4)c3)cc2)cc1 ZINC000037279057 202339292 /nfs/dbraw/zinc/33/92/92/202339292.db2.gz WCQSASWPAPFKBF-UHFFFAOYSA-N 1 0 344.458 5.527 50 0 EKAARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2c(C)cccc2C)cc1 ZINC000037522221 213152944 /nfs/dbraw/zinc/15/29/44/213152944.db2.gz MIJVFIGKYBYHQK-XMMPIXPASA-N 1 0 344.502 5.409 50 0 EKAARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2c(C)cccc2C)cc1 ZINC000037522222 213153230 /nfs/dbraw/zinc/15/32/30/213153230.db2.gz MIJVFIGKYBYHQK-DEOSSOPVSA-N 1 0 344.502 5.409 50 0 EKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)c1 ZINC000037522283 213152785 /nfs/dbraw/zinc/15/27/85/213152785.db2.gz HQTFDLWFVWKZOX-DEOSSOPVSA-N 1 0 344.502 5.409 50 0 EKAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)c1 ZINC000037522284 213153484 /nfs/dbraw/zinc/15/34/84/213153484.db2.gz HQTFDLWFVWKZOX-XMMPIXPASA-N 1 0 344.502 5.409 50 0 EKAARO Cc1cc(C)cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000037522389 213153540 /nfs/dbraw/zinc/15/35/40/213153540.db2.gz XHOADLLXBRMAEW-QHCPKHFHSA-N 1 0 330.475 5.100 50 0 EKAARO Cc1cc(C)cc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2)c1 ZINC000037522390 213153297 /nfs/dbraw/zinc/15/32/97/213153297.db2.gz XHOADLLXBRMAEW-HSZRJFAPSA-N 1 0 330.475 5.100 50 0 EKAARO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccncc2)cc1 ZINC000037522395 213152693 /nfs/dbraw/zinc/15/26/93/213152693.db2.gz BPIMDFAOIVOOGG-HSZRJFAPSA-N 1 0 345.490 5.002 50 0 EKAARO CC(C)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccncc2)cc1 ZINC000037522396 202345648 /nfs/dbraw/zinc/34/56/48/202345648.db2.gz BPIMDFAOIVOOGG-QHCPKHFHSA-N 1 0 345.490 5.002 50 0 EKAARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cc(C)cc(C)c2)cc1 ZINC000037522407 213152706 /nfs/dbraw/zinc/15/27/06/213152706.db2.gz FPACLVOCYSDCTH-XMMPIXPASA-N 1 0 344.502 5.409 50 0 EKAARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cc(C)cc(C)c2)cc1 ZINC000037522408 213153584 /nfs/dbraw/zinc/15/35/84/213153584.db2.gz FPACLVOCYSDCTH-DEOSSOPVSA-N 1 0 344.502 5.409 50 0 EKAARO CCCC[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037522455 213153028 /nfs/dbraw/zinc/15/30/28/213153028.db2.gz NSUKLBLRJXGIPN-SFHVURJKSA-N 1 0 336.401 5.102 50 0 EKAARO CCCC[N@@H+]1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037522456 202345719 /nfs/dbraw/zinc/34/57/19/202345719.db2.gz NSUKLBLRJXGIPN-GOSISDBHSA-N 1 0 336.401 5.102 50 0 EKAARO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccco2)cc1 ZINC000037522642 213153517 /nfs/dbraw/zinc/15/35/17/213153517.db2.gz ILVZUMBKWDTQTP-JOCHJYFZSA-N 1 0 334.463 5.200 50 0 EKAARO CC(C)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccco2)cc1 ZINC000037522643 213153470 /nfs/dbraw/zinc/15/34/70/213153470.db2.gz ILVZUMBKWDTQTP-QFIPXVFZSA-N 1 0 334.463 5.200 50 0 EKAARO CC(C)(C)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccco2)cc1 ZINC000037522931 213152930 /nfs/dbraw/zinc/15/29/30/213152930.db2.gz MEEKQJFIJKSKAM-JOCHJYFZSA-N 1 0 348.490 5.374 50 0 EKAARO CC(C)(C)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccco2)cc1 ZINC000037522932 213152913 /nfs/dbraw/zinc/15/29/13/213152913.db2.gz MEEKQJFIJKSKAM-QFIPXVFZSA-N 1 0 348.490 5.374 50 0 EKAARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccs2)cc1C ZINC000037523149 213153147 /nfs/dbraw/zinc/15/31/47/213153147.db2.gz LRANWTBVCSXSNB-OAQYLSRUSA-N 1 0 336.504 5.162 50 0 EKAARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccs2)cc1C ZINC000037523150 213153315 /nfs/dbraw/zinc/15/33/15/213153315.db2.gz LRANWTBVCSXSNB-NRFANRHFSA-N 1 0 336.504 5.162 50 0 EKAARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccsc2)cc1C ZINC000037523153 213152629 /nfs/dbraw/zinc/15/26/29/213152629.db2.gz FGBNPZQYRMDYRZ-OAQYLSRUSA-N 1 0 336.504 5.162 50 0 EKAARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccsc2)cc1C ZINC000037523154 213153610 /nfs/dbraw/zinc/15/36/10/213153610.db2.gz FGBNPZQYRMDYRZ-NRFANRHFSA-N 1 0 336.504 5.162 50 0 EKAARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2)cc1C ZINC000037523155 202345375 /nfs/dbraw/zinc/34/53/75/202345375.db2.gz GJRHNVFSMJFTIM-HSZRJFAPSA-N 1 0 348.465 5.239 50 0 EKAARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2)cc1C ZINC000037523156 213152590 /nfs/dbraw/zinc/15/25/90/213152590.db2.gz GJRHNVFSMJFTIM-QHCPKHFHSA-N 1 0 348.465 5.239 50 0 EKAARO Cc1cc(C)cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2F)c1 ZINC000037523337 213152879 /nfs/dbraw/zinc/15/28/79/213152879.db2.gz IXUWNLOBHZCAKR-QHCPKHFHSA-N 1 0 348.465 5.239 50 0 EKAARO Cc1cc(C)cc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2F)c1 ZINC000037523338 213152680 /nfs/dbraw/zinc/15/26/80/213152680.db2.gz IXUWNLOBHZCAKR-HSZRJFAPSA-N 1 0 348.465 5.239 50 0 EKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2)cc1C ZINC000037523341 213153283 /nfs/dbraw/zinc/15/32/83/213153283.db2.gz WHAVLPUXHWROCY-QHCPKHFHSA-N 1 0 330.475 5.100 50 0 EKAARO Cc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2)cc1C ZINC000037523342 213153204 /nfs/dbraw/zinc/15/32/04/213153204.db2.gz WHAVLPUXHWROCY-HSZRJFAPSA-N 1 0 330.475 5.100 50 0 EKAARO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccnc2)cc1 ZINC000037523347 213153109 /nfs/dbraw/zinc/15/31/09/213153109.db2.gz FKHHTEVKLYZOAS-HSZRJFAPSA-N 1 0 345.490 5.002 50 0 EKAARO CC(C)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccnc2)cc1 ZINC000037523348 213153662 /nfs/dbraw/zinc/15/36/62/213153662.db2.gz FKHHTEVKLYZOAS-QHCPKHFHSA-N 1 0 345.490 5.002 50 0 EKAARO Cc1cc(C)cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)c1 ZINC000037523515 202345425 /nfs/dbraw/zinc/34/54/25/202345425.db2.gz VPNNPHYTYNXLIN-QHCPKHFHSA-N 1 0 348.465 5.239 50 0 EKAARO Cc1cc(C)cc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000037523516 202345033 /nfs/dbraw/zinc/34/50/33/202345033.db2.gz VPNNPHYTYNXLIN-HSZRJFAPSA-N 1 0 348.465 5.239 50 0 EKAARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)cc1C ZINC000037523543 213152606 /nfs/dbraw/zinc/15/26/06/213152606.db2.gz OFOIWNLTDRVIIA-HSZRJFAPSA-N 1 0 348.465 5.239 50 0 EKAARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(F)cc2)cc1C ZINC000037523544 213152564 /nfs/dbraw/zinc/15/25/64/213152564.db2.gz OFOIWNLTDRVIIA-QHCPKHFHSA-N 1 0 348.465 5.239 50 0 EKAARO C[C@@H]1CCCC[N@@H+]1Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000037553829 213155845 /nfs/dbraw/zinc/15/58/45/213155845.db2.gz BGLLQQHSGNMSHG-CQSZACIVSA-N 1 0 334.385 5.142 50 0 EKAARO C[C@H]1CCCC[N@@H+]1Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000037553830 202347247 /nfs/dbraw/zinc/34/72/47/202347247.db2.gz BGLLQQHSGNMSHG-AWEZNQCLSA-N 1 0 334.385 5.142 50 0 EKAARO C[C@@H]1CCCC[N@@H+]1Cc1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000037553848 202347144 /nfs/dbraw/zinc/34/71/44/202347144.db2.gz RCROLXSPJYSXTB-LJQANCHMSA-N 1 0 342.486 5.790 50 0 EKAARO C[C@H]1CCCC[N@@H+]1Cc1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000037553849 213157143 /nfs/dbraw/zinc/15/71/43/213157143.db2.gz RCROLXSPJYSXTB-IBGZPJMESA-N 1 0 342.486 5.790 50 0 EKAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000038787597 564165750 /nfs/dbraw/zinc/16/57/50/564165750.db2.gz POLWYDAZFUFJCU-KRWDZBQOSA-N 1 0 338.495 5.223 50 0 EKAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000038787599 213225529 /nfs/dbraw/zinc/22/55/29/213225529.db2.gz POLWYDAZFUFJCU-QGZVFWFLSA-N 1 0 338.495 5.223 50 0 EKAARO CC(C)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000039769786 563919508 /nfs/dbraw/zinc/91/95/08/563919508.db2.gz JBQUZOGCDRDURA-PKTZIBPZSA-N 1 0 340.555 5.039 50 0 EKAARO c1ccc2cc(CN3CC[N@@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)ccc2c1 ZINC000039769802 213241708 /nfs/dbraw/zinc/24/17/08/213241708.db2.gz IKAFQONNWBCPOP-RPWUZVMVSA-N 1 0 348.534 5.069 50 0 EKAARO Cc1ccc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1 ZINC000039969204 213246505 /nfs/dbraw/zinc/24/65/05/213246505.db2.gz MMZOJRBTWBMTRU-UHFFFAOYSA-N 1 0 336.479 5.012 50 0 EKAARO c1csc(C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000039979583 563922729 /nfs/dbraw/zinc/92/27/29/563922729.db2.gz WSGJNFORBUECHC-UHFFFAOYSA-N 1 0 332.472 5.041 50 0 EKAARO CC(C)Oc1c(Cl)cc(C[NH2+]C2CCCCCCC2)cc1Cl ZINC000040721116 213375047 /nfs/dbraw/zinc/37/50/47/213375047.db2.gz JOWWXPIWMHBMFD-UHFFFAOYSA-N 1 0 344.326 5.983 50 0 EKAARO COc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OC(C)C ZINC000040721136 213374268 /nfs/dbraw/zinc/37/42/68/213374268.db2.gz MJWWJSVLRBYOPD-UHFFFAOYSA-N 1 0 339.907 5.338 50 0 EKAARO C[C@H]([NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1 ZINC000040721252 213374634 /nfs/dbraw/zinc/37/46/34/213374634.db2.gz LIRPUQXXJPFSKN-AWEZNQCLSA-N 1 0 345.364 5.816 50 0 EKAARO C[C@@H]([NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1 ZINC000040721253 213374220 /nfs/dbraw/zinc/37/42/20/213374220.db2.gz LIRPUQXXJPFSKN-CQSZACIVSA-N 1 0 345.364 5.816 50 0 EKAARO FC(F)(F)c1cccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)c1 ZINC000040721259 213375446 /nfs/dbraw/zinc/37/54/46/213375446.db2.gz UQIUKWMUEDMSAO-UHFFFAOYSA-N 1 0 345.364 5.298 50 0 EKAARO FC(F)(F)c1cccc(-c2ccc(C[NH2+]Cc3cccs3)o2)c1 ZINC000040721266 213374156 /nfs/dbraw/zinc/37/41/56/213374156.db2.gz MQUCRIFQNKAQLM-UHFFFAOYSA-N 1 0 337.366 5.317 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000040721284 563923358 /nfs/dbraw/zinc/92/33/58/563923358.db2.gz VNRCBZISMYIUEB-UHFFFAOYSA-N 1 0 325.374 5.635 50 0 EKAARO Fc1ccc(C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000040721311 213374303 /nfs/dbraw/zinc/37/43/03/213374303.db2.gz PPSULMYGHJUYQB-UHFFFAOYSA-N 1 0 349.327 5.394 50 0 EKAARO FC(F)(F)c1cccc(-c2ccc(C[NH2+]C3CCCCCC3)o2)c1 ZINC000040721326 213375057 /nfs/dbraw/zinc/37/50/57/213375057.db2.gz ASWMGHFFPDRCCE-UHFFFAOYSA-N 1 0 337.385 5.778 50 0 EKAARO Cc1ccc(C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000040721335 213374324 /nfs/dbraw/zinc/37/43/24/213374324.db2.gz VPXVZWYDFQWGLK-UHFFFAOYSA-N 1 0 345.364 5.564 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+]CCC2=CCCCC2)cc1Cl ZINC000040722079 213374987 /nfs/dbraw/zinc/37/49/87/213374987.db2.gz ORNYKOYATQIWTQ-UHFFFAOYSA-N 1 0 342.310 5.762 50 0 EKAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCC1=CCCCC1 ZINC000040722085 213374976 /nfs/dbraw/zinc/37/49/76/213374976.db2.gz IGOFJHWOPLEZSA-UHFFFAOYSA-N 1 0 342.310 5.762 50 0 EKAARO CCCOc1c(Cl)cc(C[NH2+]CCC2=CCCCC2)cc1OC ZINC000040722088 563923383 /nfs/dbraw/zinc/92/33/83/563923383.db2.gz DXNKHDIZWTUUKX-UHFFFAOYSA-N 1 0 337.891 5.118 50 0 EKAARO CCCOc1c(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)cc1OC ZINC000040722207 213374669 /nfs/dbraw/zinc/37/46/69/213374669.db2.gz CCGYAJBABFJSGN-UHFFFAOYSA-N 1 0 341.923 5.442 50 0 EKAARO CCCOc1c(C[NH2+]C2CCCCCCC2)cc(Cl)cc1OC ZINC000040722208 563923369 /nfs/dbraw/zinc/92/33/69/563923369.db2.gz NECWQCYIWFDRRK-UHFFFAOYSA-N 1 0 339.907 5.340 50 0 EKAARO CCCOc1c(C[NH2+]CCC2=CCCCC2)cc(Cl)cc1OC ZINC000040722224 213374615 /nfs/dbraw/zinc/37/46/15/213374615.db2.gz AGDGXTNJLGJEHV-UHFFFAOYSA-N 1 0 337.891 5.118 50 0 EKAARO COc1cccc(C[NH2+]C2CCCCC2)c1OCc1cccc(C)c1 ZINC000040722232 213374659 /nfs/dbraw/zinc/37/46/59/213374659.db2.gz JUPPIBQNYVSHBK-UHFFFAOYSA-N 1 0 339.479 5.005 50 0 EKAARO CCCCCC[NH2+]Cc1cccc(OC)c1OCc1cccc(C)c1 ZINC000040722253 213376607 /nfs/dbraw/zinc/37/66/07/213376607.db2.gz MASJJTDVDCBADF-UHFFFAOYSA-N 1 0 341.495 5.253 50 0 EKAARO COc1cccc(C[NH2+]C2CCCCC2)c1OCc1ccccc1C ZINC000040722293 213376476 /nfs/dbraw/zinc/37/64/76/213376476.db2.gz LQUAGXVXYZINDT-UHFFFAOYSA-N 1 0 339.479 5.005 50 0 EKAARO CCCCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1C ZINC000040722313 213375908 /nfs/dbraw/zinc/37/59/08/213375908.db2.gz LRRDVSSSEKFWPZ-UHFFFAOYSA-N 1 0 341.495 5.253 50 0 EKAARO CCCCC[NH2+]Cc1cccc(OC)c1OCc1cccc(Cl)c1 ZINC000040722572 213376380 /nfs/dbraw/zinc/37/63/80/213376380.db2.gz LFGGCEAROFZTJT-UHFFFAOYSA-N 1 0 347.886 5.207 50 0 EKAARO COc1cccc(C[NH2+]CCC(C)C)c1OCc1cccc(Cl)c1 ZINC000040722609 563923374 /nfs/dbraw/zinc/92/33/74/563923374.db2.gz HVVXYCFLHFMOPI-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cccc(OC)c1OCc1cccc(Cl)c1 ZINC000040722610 202460184 /nfs/dbraw/zinc/46/01/84/202460184.db2.gz NOZSPXPHFCZQLB-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO Cc1cccc(COc2ccc(C[NH2+][C@@H](C)c3ccccc3)cc2)c1 ZINC000040722621 213376442 /nfs/dbraw/zinc/37/64/42/213376442.db2.gz KJBOENGPKGLDQO-IBGZPJMESA-N 1 0 331.459 5.425 50 0 EKAARO Cc1cccc(COc2ccc(C[NH2+][C@H](C)c3ccccc3)cc2)c1 ZINC000040722622 213376645 /nfs/dbraw/zinc/37/66/45/213376645.db2.gz KJBOENGPKGLDQO-LJQANCHMSA-N 1 0 331.459 5.425 50 0 EKAARO Cc1cccc(COc2ccc(C[NH2+]CCc3ccccc3F)cc2)c1 ZINC000040722640 213376027 /nfs/dbraw/zinc/37/60/27/213376027.db2.gz FCGNAJFAGJYNCL-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1cccc(COc2ccc(C[NH2+]CCc3ccc(F)cc3)cc2)c1 ZINC000040722641 213376439 /nfs/dbraw/zinc/37/64/39/213376439.db2.gz JVOAGWHEFRHACF-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1cccc(COc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)c1 ZINC000040722643 213375703 /nfs/dbraw/zinc/37/57/03/213375703.db2.gz JPBCTTHDTHSKBI-UHFFFAOYSA-N 1 0 335.422 5.003 50 0 EKAARO Cc1cccc(COc2ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc2)c1 ZINC000040722649 213376808 /nfs/dbraw/zinc/37/68/08/213376808.db2.gz KFCNNFWFDQIKAP-UHFFFAOYSA-N 1 0 339.523 5.878 50 0 EKAARO Cc1cccc(COc2ccc(C[NH2+]C3CCCCCCC3)cc2)c1 ZINC000040722650 213376557 /nfs/dbraw/zinc/37/65/57/213376557.db2.gz UUKFZBPGKDRJJT-UHFFFAOYSA-N 1 0 337.507 5.777 50 0 EKAARO Cc1ccc(C[NH2+]Cc2ccc(OCc3cccc(C)c3)cc2)cc1 ZINC000040722652 213375778 /nfs/dbraw/zinc/37/57/78/213375778.db2.gz KDRCRNFOEUFCGQ-UHFFFAOYSA-N 1 0 331.459 5.172 50 0 EKAARO Cc1cccc(COc2ccc(C[NH2+]CCC3=CCCCC3)cc2)c1 ZINC000040722665 213376579 /nfs/dbraw/zinc/37/65/79/213376579.db2.gz BEQLVNSDSZYNDO-UHFFFAOYSA-N 1 0 335.491 5.554 50 0 EKAARO Cc1ccccc1COc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000040722678 213376611 /nfs/dbraw/zinc/37/66/11/213376611.db2.gz HWNCKPKOLRYZJO-IBGZPJMESA-N 1 0 331.459 5.425 50 0 EKAARO Cc1ccccc1COc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000040722679 563923441 /nfs/dbraw/zinc/92/34/41/563923441.db2.gz HWNCKPKOLRYZJO-LJQANCHMSA-N 1 0 331.459 5.425 50 0 EKAARO Cc1ccccc1COc1ccc(C[NH2+]CCc2ccccc2F)cc1 ZINC000040722697 202460256 /nfs/dbraw/zinc/46/02/56/202460256.db2.gz ZMBOLPXGPKYFLN-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1ccccc1COc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000040722698 213376657 /nfs/dbraw/zinc/37/66/57/213376657.db2.gz ZMBSZBLPTWPSSZ-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1ccccc1COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000040722700 213376324 /nfs/dbraw/zinc/37/63/24/213376324.db2.gz LKFNITKGMBMVID-UHFFFAOYSA-N 1 0 335.422 5.003 50 0 EKAARO Cc1ccccc1COc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000040722706 213376734 /nfs/dbraw/zinc/37/67/34/213376734.db2.gz JYXIVNQLNJCFDM-UHFFFAOYSA-N 1 0 339.523 5.878 50 0 EKAARO Cc1ccccc1COc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000040722707 213376784 /nfs/dbraw/zinc/37/67/84/213376784.db2.gz ZJABEQXFROGQMZ-UHFFFAOYSA-N 1 0 337.507 5.777 50 0 EKAARO Cc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3C)cc2)cc1 ZINC000040722709 213376797 /nfs/dbraw/zinc/37/67/97/213376797.db2.gz LKKAQUJIUYIZTE-UHFFFAOYSA-N 1 0 331.459 5.172 50 0 EKAARO Cc1ccccc1COc1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000040722722 213376128 /nfs/dbraw/zinc/37/61/28/213376128.db2.gz GIRSCPVSAQUGNU-UHFFFAOYSA-N 1 0 335.491 5.554 50 0 EKAARO CC(C)(C)[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722731 213375746 /nfs/dbraw/zinc/37/57/46/213375746.db2.gz CEZKKPJZJVHOJC-UHFFFAOYSA-N 1 0 338.278 5.461 50 0 EKAARO CCCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722738 563923480 /nfs/dbraw/zinc/92/34/80/563923480.db2.gz WLUIROXQFTXTAM-UHFFFAOYSA-N 1 0 338.278 5.462 50 0 EKAARO CC(C)C[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722753 213376049 /nfs/dbraw/zinc/37/60/49/213376049.db2.gz BXGCUNYZMPWFJT-UHFFFAOYSA-N 1 0 338.278 5.318 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722754 213376795 /nfs/dbraw/zinc/37/67/95/213376795.db2.gz JUOKOKRNPIJYHZ-CYBMUJFWSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040722755 213376596 /nfs/dbraw/zinc/37/65/96/213376596.db2.gz JUOKOKRNPIJYHZ-ZDUSSCGKSA-N 1 0 338.278 5.461 50 0 EKAARO Fc1ccc(COc2ccc(C[NH2+]C3CCCCC3)cc2)c(Cl)c1 ZINC000040722794 213375690 /nfs/dbraw/zinc/37/56/90/213375690.db2.gz QKIXXNNNAGXZQU-UHFFFAOYSA-N 1 0 347.861 5.480 50 0 EKAARO Fc1ccc(COc2ccc(C[NH2+]C3CCCC3)cc2)c(Cl)c1 ZINC000040722804 202459860 /nfs/dbraw/zinc/45/98/60/202459860.db2.gz HUDFXSAXORJVJQ-UHFFFAOYSA-N 1 0 333.834 5.090 50 0 EKAARO CCCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000040722816 213376031 /nfs/dbraw/zinc/37/60/31/213376031.db2.gz RDTDAPNINTZCPT-UHFFFAOYSA-N 1 0 335.850 5.338 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000040722817 202460410 /nfs/dbraw/zinc/46/04/10/202460410.db2.gz FUDIQFNKOKAMNX-UHFFFAOYSA-N 1 0 349.877 5.728 50 0 EKAARO CC(C)CC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000040722851 213376457 /nfs/dbraw/zinc/37/64/57/213376457.db2.gz WREVVMPTFWVTML-UHFFFAOYSA-N 1 0 335.850 5.194 50 0 EKAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000040722852 213376527 /nfs/dbraw/zinc/37/65/27/213376527.db2.gz FVHAXTQYEQOZRA-UHFFFAOYSA-N 1 0 335.850 5.336 50 0 EKAARO Fc1cccc(Cl)c1COc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000040722858 213375891 /nfs/dbraw/zinc/37/58/91/213375891.db2.gz VMFQOPNAPORTMN-UHFFFAOYSA-N 1 0 347.861 5.480 50 0 EKAARO Fc1cccc(Cl)c1COc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000040722867 213376768 /nfs/dbraw/zinc/37/67/68/213376768.db2.gz DHGAJTSOHXAUJJ-UHFFFAOYSA-N 1 0 333.834 5.090 50 0 EKAARO CCCCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000040722878 213376675 /nfs/dbraw/zinc/37/66/75/213376675.db2.gz VMKMAQDPZVNVIH-UHFFFAOYSA-N 1 0 335.850 5.338 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000040722879 202460656 /nfs/dbraw/zinc/46/06/56/202460656.db2.gz IEGPFHCDERIUBQ-UHFFFAOYSA-N 1 0 349.877 5.728 50 0 EKAARO CC(C)CC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000040722913 213375812 /nfs/dbraw/zinc/37/58/12/213375812.db2.gz RGJMQVZIGOTDNX-UHFFFAOYSA-N 1 0 335.850 5.194 50 0 EKAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000040722914 563923457 /nfs/dbraw/zinc/92/34/57/563923457.db2.gz WAFKUSUFGWVEEE-UHFFFAOYSA-N 1 0 335.850 5.336 50 0 EKAARO CC(C)(C)[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040722921 563974681 /nfs/dbraw/zinc/97/46/81/563974681.db2.gz AMNCIODBTFJCNI-UHFFFAOYSA-N 1 0 338.278 5.461 50 0 EKAARO CCCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040722928 213376225 /nfs/dbraw/zinc/37/62/25/213376225.db2.gz XUTRNMSFBIQAPX-UHFFFAOYSA-N 1 0 338.278 5.462 50 0 EKAARO CC(C)C[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040722943 213376576 /nfs/dbraw/zinc/37/65/76/213376576.db2.gz JNVSJVPRMUVNJI-UHFFFAOYSA-N 1 0 338.278 5.318 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040722944 563923450 /nfs/dbraw/zinc/92/34/50/563923450.db2.gz LGMIFOYAXKWNCT-CYBMUJFWSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040722945 563923453 /nfs/dbraw/zinc/92/34/53/563923453.db2.gz LGMIFOYAXKWNCT-ZDUSSCGKSA-N 1 0 338.278 5.461 50 0 EKAARO Clc1cccc(COc2ccc(C[NH2+]Cc3ccccc3)cc2)c1 ZINC000040728077 563923451 /nfs/dbraw/zinc/92/34/51/563923451.db2.gz NJRMIKBTODPRLJ-UHFFFAOYSA-N 1 0 337.850 5.209 50 0 EKAARO Clc1cccc(COc2ccc(C[NH2+]C3CCCCC3)cc2)c1 ZINC000040728080 563923492 /nfs/dbraw/zinc/92/34/92/563923492.db2.gz RZYDYESALDABCO-UHFFFAOYSA-N 1 0 329.871 5.341 50 0 EKAARO Clc1cccc(COc2ccc(C[NH2+]Cc3cccs3)cc2)c1 ZINC000040728126 213376671 /nfs/dbraw/zinc/37/66/71/213376671.db2.gz OMGWFGRUHRMKKK-UHFFFAOYSA-N 1 0 343.879 5.270 50 0 EKAARO CCCCCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000040728138 213376780 /nfs/dbraw/zinc/37/67/80/213376780.db2.gz YNNCJRAQSFXVDQ-UHFFFAOYSA-N 1 0 331.887 5.589 50 0 EKAARO Clc1cccc(COc2ccc(C[NH2+]C3CCCCCC3)cc2)c1 ZINC000040728179 202461291 /nfs/dbraw/zinc/46/12/91/202461291.db2.gz IYQIKUBYTCISJU-UHFFFAOYSA-N 1 0 343.898 5.731 50 0 EKAARO COc1cc(Cl)cc(C[NH2+]C2CCCCCCC2)c1OC(C)C ZINC000040728375 563923483 /nfs/dbraw/zinc/92/34/83/563923483.db2.gz DWRLYFYIUCNEQW-UHFFFAOYSA-N 1 0 339.907 5.338 50 0 EKAARO COc1cc(Cl)cc(C[NH2+]CCC2=CCCCC2)c1OC(C)C ZINC000040728419 563923465 /nfs/dbraw/zinc/92/34/65/563923465.db2.gz AZZHOGCRLOWPTR-UHFFFAOYSA-N 1 0 337.891 5.116 50 0 EKAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OC(C)C ZINC000040729179 213377174 /nfs/dbraw/zinc/37/71/74/213377174.db2.gz CMZWKMHRYIXIGX-HNNXBMFYSA-N 1 0 347.886 5.377 50 0 EKAARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OC(C)C ZINC000040729182 213378123 /nfs/dbraw/zinc/37/81/23/213378123.db2.gz CMZWKMHRYIXIGX-OAHLLOKOSA-N 1 0 347.886 5.377 50 0 EKAARO CCCCCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OCC)c1 ZINC000040729221 213378002 /nfs/dbraw/zinc/37/80/02/213378002.db2.gz XPFSARIWOJJJFH-UHFFFAOYSA-N 1 0 327.896 5.196 50 0 EKAARO CCOc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OC(C)C ZINC000040729262 213378088 /nfs/dbraw/zinc/37/80/88/213378088.db2.gz JQWHLCUQLIXWGT-UHFFFAOYSA-N 1 0 339.907 5.338 50 0 EKAARO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OC(C)C ZINC000040729277 213377903 /nfs/dbraw/zinc/37/79/03/213377903.db2.gz DGUFKOITJSLRPE-UHFFFAOYSA-N 1 0 347.886 5.124 50 0 EKAARO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OC(C)C ZINC000040729432 213377639 /nfs/dbraw/zinc/37/76/39/213377639.db2.gz FITDDLZGFLTZIQ-UHFFFAOYSA-N 1 0 341.923 5.440 50 0 EKAARO COc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OC(C)C ZINC000040729472 213377919 /nfs/dbraw/zinc/37/79/19/213377919.db2.gz QMTKCDORSJPVPV-UHFFFAOYSA-N 1 0 337.891 5.116 50 0 EKAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000040729577 213377240 /nfs/dbraw/zinc/37/72/40/213377240.db2.gz LEFJUHVFGSINHJ-UHFFFAOYSA-N 1 0 349.518 5.685 50 0 EKAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000040729580 202461113 /nfs/dbraw/zinc/46/11/13/202461113.db2.gz ATEPVIQTBWEYQC-UHFFFAOYSA-N 1 0 349.518 5.541 50 0 EKAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]Cc1ccccc1Cl ZINC000040729600 213377601 /nfs/dbraw/zinc/37/76/01/213377601.db2.gz ZPYPHYKTGPIOCM-UHFFFAOYSA-N 1 0 339.866 5.570 50 0 EKAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]CCc1ccccc1F ZINC000040729652 213377590 /nfs/dbraw/zinc/37/75/90/213377590.db2.gz LTAYCLQWVPFAOL-UHFFFAOYSA-N 1 0 337.438 5.098 50 0 EKAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]CCc1ccc(F)cc1 ZINC000040729654 563923557 /nfs/dbraw/zinc/92/35/57/563923557.db2.gz GKRPDKGIMNRXQR-UHFFFAOYSA-N 1 0 337.438 5.098 50 0 EKAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]C(C)(C)CC(C)(C)C ZINC000040729680 213377081 /nfs/dbraw/zinc/37/70/81/213377081.db2.gz DZKINZIRVSRJBQ-UHFFFAOYSA-N 1 0 327.512 5.931 50 0 EKAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]C1CCCCCCC1 ZINC000040729682 213377076 /nfs/dbraw/zinc/37/70/76/213377076.db2.gz GNJVKAJTFWXLIP-UHFFFAOYSA-N 1 0 325.496 5.830 50 0 EKAARO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000040729733 213377471 /nfs/dbraw/zinc/37/74/71/213377471.db2.gz OTXYKFZSAZPBCX-IBGZPJMESA-N 1 0 347.502 5.738 50 0 EKAARO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H](C)CCc1ccccc1 ZINC000040729736 213378117 /nfs/dbraw/zinc/37/81/17/213378117.db2.gz OTXYKFZSAZPBCX-LJQANCHMSA-N 1 0 347.502 5.738 50 0 EKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000040729768 213377383 /nfs/dbraw/zinc/37/73/83/213377383.db2.gz CZKVCOCHVLEREJ-ZDUSSCGKSA-N 1 0 338.278 5.631 50 0 EKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000040729771 563923539 /nfs/dbraw/zinc/92/35/39/563923539.db2.gz CZKVCOCHVLEREJ-CYBMUJFWSA-N 1 0 338.278 5.631 50 0 EKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccccc1 ZINC000040729782 213377023 /nfs/dbraw/zinc/37/70/23/213377023.db2.gz LSQXTPDOKCTKQR-UHFFFAOYSA-N 1 0 338.278 5.113 50 0 EKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccs1 ZINC000040729799 213377997 /nfs/dbraw/zinc/37/79/97/213377997.db2.gz MBCGRXONTLKMRR-UHFFFAOYSA-N 1 0 330.280 5.132 50 0 EKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000040729839 213377967 /nfs/dbraw/zinc/37/79/67/213377967.db2.gz JYMNYBUDPYPNCQ-UHFFFAOYSA-N 1 0 342.241 5.210 50 0 EKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000040729854 213377678 /nfs/dbraw/zinc/37/76/78/213377678.db2.gz AZEMKZYOVHVVCH-UHFFFAOYSA-N 1 0 330.299 5.593 50 0 EKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000040729860 563923542 /nfs/dbraw/zinc/92/35/42/563923542.db2.gz GHUJDOVBASJUBT-UHFFFAOYSA-N 1 0 346.342 6.085 50 0 EKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCCCCC1 ZINC000040729863 213378067 /nfs/dbraw/zinc/37/80/67/213378067.db2.gz GMMAAJBMJMFJSU-UHFFFAOYSA-N 1 0 344.326 5.983 50 0 EKAARO Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2OC(C)C)cc1 ZINC000040729868 563923593 /nfs/dbraw/zinc/92/35/93/563923593.db2.gz AORUWICJIMUIAV-UHFFFAOYSA-N 1 0 338.278 5.379 50 0 EKAARO CCCCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C ZINC000040729887 213377593 /nfs/dbraw/zinc/37/75/93/213377593.db2.gz MSDNXWIURRZHQL-UHFFFAOYSA-N 1 0 348.314 5.077 50 0 EKAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]CCC1=CCCCC1 ZINC000040729903 213377826 /nfs/dbraw/zinc/37/78/26/213377826.db2.gz CGZYSWRJLNQAHO-UHFFFAOYSA-N 1 0 342.310 5.761 50 0 EKAARO CC(C)Oc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000040730127 563923578 /nfs/dbraw/zinc/92/35/78/563923578.db2.gz ZMZMHLFGLDPMLT-AWEZNQCLSA-N 1 0 348.284 5.087 50 0 EKAARO CC(C)Oc1ccc(Br)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000040730129 213377720 /nfs/dbraw/zinc/37/77/20/213377720.db2.gz ZMZMHLFGLDPMLT-CQSZACIVSA-N 1 0 348.284 5.087 50 0 EKAARO CC(C)Oc1ccc(Br)cc1C[NH2+]C1CCCCCC1 ZINC000040730202 213377955 /nfs/dbraw/zinc/37/79/55/213377955.db2.gz PARHTMOIJKNFQX-UHFFFAOYSA-N 1 0 340.305 5.049 50 0 EKAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000040730284 202462129 /nfs/dbraw/zinc/46/21/29/202462129.db2.gz GSMOKPSEQHFHQX-UHFFFAOYSA-N 1 0 333.903 5.186 50 0 EKAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000040730287 213377181 /nfs/dbraw/zinc/37/71/81/213377181.db2.gz XPIUAXHNRMJEPP-UHFFFAOYSA-N 1 0 333.903 5.042 50 0 EKAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000040730423 213377454 /nfs/dbraw/zinc/37/74/54/213377454.db2.gz WNJMCPORYNSHJV-UHFFFAOYSA-N 1 0 338.278 5.113 50 0 EKAARO CC(C)Oc1ccc(Cl)cc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000040730442 213377264 /nfs/dbraw/zinc/37/72/64/213377264.db2.gz FJVYPMBARFPZCK-INIZCTEOSA-N 1 0 331.887 5.238 50 0 EKAARO CC(C)Oc1ccc(Cl)cc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000040730445 213377325 /nfs/dbraw/zinc/37/73/25/213377325.db2.gz FJVYPMBARFPZCK-MRXNPFEDSA-N 1 0 331.887 5.238 50 0 EKAARO CC(C)Oc1c(Cl)cc(C[NH2+][C@@H](C)c2ccccc2)cc1Cl ZINC000040730652 563923560 /nfs/dbraw/zinc/92/35/60/563923560.db2.gz VONZJKFJUJNXFP-ZDUSSCGKSA-N 1 0 338.278 5.631 50 0 EKAARO CC(C)Oc1c(Cl)cc(C[NH2+][C@H](C)c2ccccc2)cc1Cl ZINC000040730655 213377784 /nfs/dbraw/zinc/37/77/84/213377784.db2.gz VONZJKFJUJNXFP-CYBMUJFWSA-N 1 0 338.278 5.631 50 0 EKAARO CC(C)Oc1c(Cl)cc(C[NH2+]CCc2ccccc2)cc1Cl ZINC000040730667 563923576 /nfs/dbraw/zinc/92/35/76/563923576.db2.gz ADRMEJJSLGNWJD-UHFFFAOYSA-N 1 0 338.278 5.113 50 0 EKAARO CC(C)Oc1c(Cl)cc(C[NH2+]Cc2cccs2)cc1Cl ZINC000040730685 563923545 /nfs/dbraw/zinc/92/35/45/563923545.db2.gz LDKIQCIBEKVUAN-UHFFFAOYSA-N 1 0 330.280 5.132 50 0 EKAARO CC(C)Oc1c(Cl)cc(C[NH2+]Cc2ccc(F)cc2)cc1Cl ZINC000040730732 213377223 /nfs/dbraw/zinc/37/72/23/213377223.db2.gz YZMIJAIKHXJLBW-UHFFFAOYSA-N 1 0 342.241 5.210 50 0 EKAARO CC(C)Oc1c(Cl)cc(C[NH2+]C2CCCCCC2)cc1Cl ZINC000040730743 213378052 /nfs/dbraw/zinc/37/80/52/213378052.db2.gz ALNQQDQKRZFGAB-UHFFFAOYSA-N 1 0 330.299 5.593 50 0 EKAARO CC(C)Oc1c(Cl)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1Cl ZINC000040730748 213377320 /nfs/dbraw/zinc/37/73/20/213377320.db2.gz UITQMBKYLLIGDW-UHFFFAOYSA-N 1 0 346.342 6.085 50 0 EKAARO Cc1ccc(C[NH2+]Cc2cc(Cl)c(OC(C)C)c(Cl)c2)cc1 ZINC000040730754 213377793 /nfs/dbraw/zinc/37/77/93/213377793.db2.gz RBGAOPKPELYYEN-UHFFFAOYSA-N 1 0 338.278 5.379 50 0 EKAARO CCCCOCCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000040730776 213377927 /nfs/dbraw/zinc/37/79/27/213377927.db2.gz XQHMMXFJPXZGDF-UHFFFAOYSA-N 1 0 348.314 5.077 50 0 EKAARO CC(C)Oc1c(Cl)cc(C[NH2+]CCC2=CCCCC2)cc1Cl ZINC000040730794 213378048 /nfs/dbraw/zinc/37/80/48/213378048.db2.gz AHYYZUOIXWMJDY-UHFFFAOYSA-N 1 0 342.310 5.761 50 0 EKAARO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1Br ZINC000040730838 213377880 /nfs/dbraw/zinc/37/78/80/213377880.db2.gz BEUJKKHKHNPVLR-AWEZNQCLSA-N 1 0 348.284 5.087 50 0 EKAARO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1Br ZINC000040730841 213377045 /nfs/dbraw/zinc/37/70/45/213377045.db2.gz BEUJKKHKHNPVLR-CQSZACIVSA-N 1 0 348.284 5.087 50 0 EKAARO CC(C)Oc1ccc(C[NH2+]C2CCCCCC2)cc1Br ZINC000040730937 202461235 /nfs/dbraw/zinc/46/12/35/202461235.db2.gz TWSDZAFOGXNWIF-UHFFFAOYSA-N 1 0 340.305 5.049 50 0 EKAARO CC(C)Oc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000040731022 213378038 /nfs/dbraw/zinc/37/80/38/213378038.db2.gz XHLSZPSGSYQGJB-UHFFFAOYSA-N 1 0 333.903 5.186 50 0 EKAARO CC(C)Oc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1Cl ZINC000040731025 213377534 /nfs/dbraw/zinc/37/75/34/213377534.db2.gz KFINGMCKABXLMC-UHFFFAOYSA-N 1 0 333.903 5.042 50 0 EKAARO CC(C)Oc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1Cl ZINC000040731172 213377972 /nfs/dbraw/zinc/37/79/72/213377972.db2.gz WWWAYDVJEKAWKG-UHFFFAOYSA-N 1 0 338.278 5.113 50 0 EKAARO CC(C)Oc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1Cl ZINC000040731192 563923559 /nfs/dbraw/zinc/92/35/59/563923559.db2.gz JTJWGGFRRJFSHF-INIZCTEOSA-N 1 0 331.887 5.238 50 0 EKAARO CC(C)Oc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1Cl ZINC000040731195 213377615 /nfs/dbraw/zinc/37/76/15/213377615.db2.gz JTJWGGFRRJFSHF-MRXNPFEDSA-N 1 0 331.887 5.238 50 0 EKAARO CC(C)Oc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000040731209 563974741 /nfs/dbraw/zinc/97/47/41/563974741.db2.gz PDYCERBGXJLPLF-IZQOUKSCSA-N 1 0 327.512 5.312 50 0 EKAARO CC(C)Oc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000040731225 213377461 /nfs/dbraw/zinc/37/74/61/213377461.db2.gz ZTHKUCVQWBAJTE-UHFFFAOYSA-N 1 0 338.278 5.113 50 0 EKAARO CC(C)Oc1cccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1 ZINC000040731241 213377915 /nfs/dbraw/zinc/37/79/15/213377915.db2.gz KWWHZWCTLBYOTC-IZQOUKSCSA-N 1 0 327.512 5.312 50 0 EKAARO CC(C)Oc1cccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000040731262 213377736 /nfs/dbraw/zinc/37/77/36/213377736.db2.gz PYDFUHZVXYRTBF-UHFFFAOYSA-N 1 0 338.278 5.113 50 0 EKAARO CC(C)Oc1ccccc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000040731279 563974775 /nfs/dbraw/zinc/97/47/75/563974775.db2.gz OKZQPHFXSFESKS-QFWMWPAFSA-N 1 0 327.512 5.312 50 0 EKAARO CC(C)Oc1ccccc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000040731296 213378032 /nfs/dbraw/zinc/37/80/32/213378032.db2.gz YNQCSLBIXMRVJG-UHFFFAOYSA-N 1 0 338.278 5.113 50 0 EKAARO Cc1cccc(COc2ccccc2C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000040731375 213377161 /nfs/dbraw/zinc/37/71/61/213377161.db2.gz BWOAYABBHITUSV-IBGZPJMESA-N 1 0 331.459 5.425 50 0 EKAARO Cc1cccc(COc2ccccc2C[NH2+][C@H](C)c2ccccc2)c1 ZINC000040731378 213377714 /nfs/dbraw/zinc/37/77/14/213377714.db2.gz BWOAYABBHITUSV-LJQANCHMSA-N 1 0 331.459 5.425 50 0 EKAARO Cc1cccc(COc2ccccc2C[NH2+]CCc2ccccc2F)c1 ZINC000040731432 213377412 /nfs/dbraw/zinc/37/74/12/213377412.db2.gz UWXUNRLPQPTZHS-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1cccc(COc2ccccc2C[NH2+]CCc2ccc(F)cc2)c1 ZINC000040731435 213377139 /nfs/dbraw/zinc/37/71/39/213377139.db2.gz CMBVPXVEHPKFHP-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1cccc(COc2ccccc2C[NH2+]Cc2ccc(F)cc2)c1 ZINC000040731441 213377376 /nfs/dbraw/zinc/37/73/76/213377376.db2.gz ZGVPKYXSEUQEGM-UHFFFAOYSA-N 1 0 335.422 5.003 50 0 EKAARO Cc1cccc(COc2ccccc2C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000040731459 213377832 /nfs/dbraw/zinc/37/78/32/213377832.db2.gz QMCLKUGWGQGIFX-UHFFFAOYSA-N 1 0 339.523 5.878 50 0 EKAARO Cc1cccc(COc2ccccc2C[NH2+]C2CCCCCCC2)c1 ZINC000040731462 213377087 /nfs/dbraw/zinc/37/70/87/213377087.db2.gz HHAYHUYBLHDBNE-UHFFFAOYSA-N 1 0 337.507 5.777 50 0 EKAARO Cc1ccc(C[NH2+]Cc2ccccc2OCc2cccc(C)c2)cc1 ZINC000040731468 563923570 /nfs/dbraw/zinc/92/35/70/563923570.db2.gz JRNRNCFOEHPARJ-UHFFFAOYSA-N 1 0 331.459 5.172 50 0 EKAARO Cc1cccc(COc2ccccc2C[NH2+]CCC2=CCCCC2)c1 ZINC000040731516 563923536 /nfs/dbraw/zinc/92/35/36/563923536.db2.gz PAJRTOAHSPUREA-UHFFFAOYSA-N 1 0 335.491 5.554 50 0 EKAARO Cc1ccccc1COc1ccccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000040731558 213377245 /nfs/dbraw/zinc/37/72/45/213377245.db2.gz BYYRBZCHTKAQDC-IBGZPJMESA-N 1 0 331.459 5.425 50 0 EKAARO Cc1ccccc1COc1ccccc1C[NH2+][C@H](C)c1ccccc1 ZINC000040731561 563923669 /nfs/dbraw/zinc/92/36/69/563923669.db2.gz BYYRBZCHTKAQDC-LJQANCHMSA-N 1 0 331.459 5.425 50 0 EKAARO Cc1ccccc1COc1ccccc1C[NH2+]CCc1ccccc1F ZINC000040731616 563923638 /nfs/dbraw/zinc/92/36/38/563923638.db2.gz SXUMCPBOPHZEHJ-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1ccccc1COc1ccccc1C[NH2+]CCc1ccc(F)cc1 ZINC000040731619 563923680 /nfs/dbraw/zinc/92/36/80/563923680.db2.gz YOXLLUIAHZLWBW-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1ccccc1COc1ccccc1C[NH2+]Cc1ccc(F)cc1 ZINC000040731625 213377351 /nfs/dbraw/zinc/37/73/51/213377351.db2.gz LKFPMWODLQUMFM-UHFFFAOYSA-N 1 0 335.422 5.003 50 0 EKAARO Cc1ccccc1COc1ccccc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000040731643 213377287 /nfs/dbraw/zinc/37/72/87/213377287.db2.gz KOYXCPVGNCDLCR-UHFFFAOYSA-N 1 0 339.523 5.878 50 0 EKAARO Cc1ccccc1COc1ccccc1C[NH2+]C1CCCCCCC1 ZINC000040731646 213377930 /nfs/dbraw/zinc/37/79/30/213377930.db2.gz FFVCEPSKAJKNMY-UHFFFAOYSA-N 1 0 337.507 5.777 50 0 EKAARO Cc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2C)cc1 ZINC000040731652 213377357 /nfs/dbraw/zinc/37/73/57/213377357.db2.gz NWSJWIGSSXQVKE-UHFFFAOYSA-N 1 0 331.459 5.172 50 0 EKAARO Cc1ccccc1COc1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000040731702 213377008 /nfs/dbraw/zinc/37/70/08/213377008.db2.gz OCLTWOLFOHEAFA-UHFFFAOYSA-N 1 0 335.491 5.554 50 0 EKAARO CC(C)(C)[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731729 213377260 /nfs/dbraw/zinc/37/72/60/213377260.db2.gz DEEHGJQJYIFWET-UHFFFAOYSA-N 1 0 338.278 5.461 50 0 EKAARO CCCC[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731749 213377909 /nfs/dbraw/zinc/37/79/09/213377909.db2.gz KGKXRTHQIFLZQF-UHFFFAOYSA-N 1 0 338.278 5.462 50 0 EKAARO CC(C)C[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731795 213378106 /nfs/dbraw/zinc/37/81/06/213378106.db2.gz FSQMSCKGSSXHGG-UHFFFAOYSA-N 1 0 338.278 5.318 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731798 213377835 /nfs/dbraw/zinc/37/78/35/213377835.db2.gz CMLRVSXWEOQCAU-CYBMUJFWSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@H](C)[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000040731801 563923653 /nfs/dbraw/zinc/92/36/53/563923653.db2.gz CMLRVSXWEOQCAU-ZDUSSCGKSA-N 1 0 338.278 5.461 50 0 EKAARO Fc1ccc(COc2ccccc2C[NH2+]C2CCCCC2)c(Cl)c1 ZINC000040731931 213377583 /nfs/dbraw/zinc/37/75/83/213377583.db2.gz MNNQRHGEDDOWOG-UHFFFAOYSA-N 1 0 347.861 5.480 50 0 EKAARO Fc1ccc(COc2ccccc2C[NH2+]C2CCCC2)c(Cl)c1 ZINC000040731962 213378154 /nfs/dbraw/zinc/37/81/54/213378154.db2.gz GJACXAFAQULOAU-UHFFFAOYSA-N 1 0 333.834 5.090 50 0 EKAARO CCCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl ZINC000040731998 563923617 /nfs/dbraw/zinc/92/36/17/563923617.db2.gz CQTGGEUVZVPYJH-UHFFFAOYSA-N 1 0 335.850 5.338 50 0 EKAARO CCCCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl ZINC000040732001 213379345 /nfs/dbraw/zinc/37/93/45/213379345.db2.gz BXJQRTNVYNCXRA-UHFFFAOYSA-N 1 0 349.877 5.728 50 0 EKAARO CC(C)CC[NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl ZINC000040732115 213378828 /nfs/dbraw/zinc/37/88/28/213378828.db2.gz LACNMNAYSYUDSQ-UHFFFAOYSA-N 1 0 335.850 5.194 50 0 EKAARO CCC(C)(C)[NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl ZINC000040732118 202461797 /nfs/dbraw/zinc/46/17/97/202461797.db2.gz MRXDHGKBMKTANX-UHFFFAOYSA-N 1 0 335.850 5.336 50 0 EKAARO Fc1cccc(Cl)c1COc1ccccc1C[NH2+]C1CCCCC1 ZINC000040732136 213378869 /nfs/dbraw/zinc/37/88/69/213378869.db2.gz FEFBHZMJDRDTSE-UHFFFAOYSA-N 1 0 347.861 5.480 50 0 EKAARO Fc1cccc(Cl)c1COc1ccccc1C[NH2+]C1CCCC1 ZINC000040732163 213378730 /nfs/dbraw/zinc/37/87/30/213378730.db2.gz MWLGXIYOJYGPDW-UHFFFAOYSA-N 1 0 333.834 5.090 50 0 EKAARO CCCCC[NH2+]Cc1ccccc1OCc1c(F)cccc1Cl ZINC000040732196 213378820 /nfs/dbraw/zinc/37/88/20/213378820.db2.gz OERRGYWMMNJFDS-UHFFFAOYSA-N 1 0 335.850 5.338 50 0 EKAARO CCCCCC[NH2+]Cc1ccccc1OCc1c(F)cccc1Cl ZINC000040732199 563923642 /nfs/dbraw/zinc/92/36/42/563923642.db2.gz WCEXOUUVSMHBNV-UHFFFAOYSA-N 1 0 349.877 5.728 50 0 EKAARO CC(C)CC[NH2+]Cc1ccccc1OCc1c(F)cccc1Cl ZINC000040732311 213379525 /nfs/dbraw/zinc/37/95/25/213379525.db2.gz JIJGSECDGGDBCR-UHFFFAOYSA-N 1 0 335.850 5.194 50 0 EKAARO CCC(C)(C)[NH2+]Cc1ccccc1OCc1c(F)cccc1Cl ZINC000040732314 213378732 /nfs/dbraw/zinc/37/87/32/213378732.db2.gz GZKPVKJEURSZMP-UHFFFAOYSA-N 1 0 335.850 5.336 50 0 EKAARO CC(C)(C)[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732334 563974776 /nfs/dbraw/zinc/97/47/76/563974776.db2.gz ZKCNJHYLVPTRBS-UHFFFAOYSA-N 1 0 338.278 5.461 50 0 EKAARO CCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732355 563923634 /nfs/dbraw/zinc/92/36/34/563923634.db2.gz UUOHEENILLDTSD-UHFFFAOYSA-N 1 0 338.278 5.462 50 0 EKAARO CC(C)C[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732400 213378709 /nfs/dbraw/zinc/37/87/09/213378709.db2.gz MILPCDQHBZSBQF-UHFFFAOYSA-N 1 0 338.278 5.318 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732403 564177667 /nfs/dbraw/zinc/17/76/67/564177667.db2.gz GEGBMXVNEKJDPJ-CYBMUJFWSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@H](C)[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040732406 564177671 /nfs/dbraw/zinc/17/76/71/564177671.db2.gz GEGBMXVNEKJDPJ-ZDUSSCGKSA-N 1 0 338.278 5.461 50 0 EKAARO Clc1cccc(COc2ccccc2C[NH2+]Cc2ccccc2)c1 ZINC000040732535 213378916 /nfs/dbraw/zinc/37/89/16/213378916.db2.gz XRHGNCLTAVNEEC-UHFFFAOYSA-N 1 0 337.850 5.209 50 0 EKAARO Clc1cccc(COc2ccccc2C[NH2+]C2CCCCC2)c1 ZINC000040732538 213379560 /nfs/dbraw/zinc/37/95/60/213379560.db2.gz FCUDOPLVDSQOHV-UHFFFAOYSA-N 1 0 329.871 5.341 50 0 EKAARO Clc1cccc(COc2ccccc2C[NH2+]Cc2cccs2)c1 ZINC000040732589 213379495 /nfs/dbraw/zinc/37/94/95/213379495.db2.gz XYYIGKWSQISMMY-UHFFFAOYSA-N 1 0 343.879 5.270 50 0 EKAARO CCCCCC[NH2+]Cc1ccccc1OCc1cccc(Cl)c1 ZINC000040732602 213379283 /nfs/dbraw/zinc/37/92/83/213379283.db2.gz VGUFHIFBIJOHBY-UHFFFAOYSA-N 1 0 331.887 5.589 50 0 EKAARO Clc1cccc(COc2ccccc2C[NH2+]C2CCCCCC2)c1 ZINC000040732644 563923644 /nfs/dbraw/zinc/92/36/44/563923644.db2.gz SWSZSMPFEXUVDC-UHFFFAOYSA-N 1 0 343.898 5.731 50 0 EKAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]C(C)(C)C)c1 ZINC000040734774 213379159 /nfs/dbraw/zinc/37/91/59/213379159.db2.gz OVIINRRMYUJDLW-UHFFFAOYSA-N 1 0 333.475 5.615 50 0 EKAARO CCCC[NH2+]Cc1c(OCc2cccc(C)c2)ccc2ccccc21 ZINC000040734795 213379596 /nfs/dbraw/zinc/37/95/96/213379596.db2.gz QNTRPJZNZPUESB-UHFFFAOYSA-N 1 0 333.475 5.617 50 0 EKAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]C2CCCC2)c1 ZINC000040734798 563923689 /nfs/dbraw/zinc/92/36/89/563923689.db2.gz PUIZTLJQPORKFF-UHFFFAOYSA-N 1 0 345.486 5.759 50 0 EKAARO CCCCC[NH2+]Cc1c(OCc2cccc(C)c2)ccc2ccccc21 ZINC000040734833 213379148 /nfs/dbraw/zinc/37/91/48/213379148.db2.gz KDAASZXHROXCPU-UHFFFAOYSA-N 1 0 347.502 6.007 50 0 EKAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]CC(C)C)c1 ZINC000040734839 213378419 /nfs/dbraw/zinc/37/84/19/213378419.db2.gz HMUJQXBCTGMQSE-UHFFFAOYSA-N 1 0 333.475 5.473 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1c(OCc2cccc(C)c2)ccc2ccccc21 ZINC000040734842 213379426 /nfs/dbraw/zinc/37/94/26/213379426.db2.gz MWNXKMKUBVPUFM-GOSISDBHSA-N 1 0 333.475 5.615 50 0 EKAARO CC[C@H](C)[NH2+]Cc1c(OCc2cccc(C)c2)ccc2ccccc21 ZINC000040734845 202461015 /nfs/dbraw/zinc/46/10/15/202461015.db2.gz MWNXKMKUBVPUFM-SFHVURJKSA-N 1 0 333.475 5.615 50 0 EKAARO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]CCC(C)C)c1 ZINC000040734964 213378736 /nfs/dbraw/zinc/37/87/36/213378736.db2.gz IFOFUXTZGOXFAY-UHFFFAOYSA-N 1 0 347.502 5.863 50 0 EKAARO CCC(C)(C)[NH2+]Cc1c(OCc2cccc(C)c2)ccc2ccccc21 ZINC000040734967 213378682 /nfs/dbraw/zinc/37/86/82/213378682.db2.gz JVDSFLAEQQTCFQ-UHFFFAOYSA-N 1 0 347.502 6.005 50 0 EKAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]C(C)(C)C ZINC000040734988 213379490 /nfs/dbraw/zinc/37/94/90/213379490.db2.gz FPUYZPOPNLREEK-UHFFFAOYSA-N 1 0 333.475 5.615 50 0 EKAARO CCCC[NH2+]Cc1c(OCc2ccccc2C)ccc2ccccc21 ZINC000040735010 202461633 /nfs/dbraw/zinc/46/16/33/202461633.db2.gz QTOYNYDKCRFQDB-UHFFFAOYSA-N 1 0 333.475 5.617 50 0 EKAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]C1CCCC1 ZINC000040735013 563923667 /nfs/dbraw/zinc/92/36/67/563923667.db2.gz SYPAHBBCQGGUJJ-UHFFFAOYSA-N 1 0 345.486 5.759 50 0 EKAARO CCCCC[NH2+]Cc1c(OCc2ccccc2C)ccc2ccccc21 ZINC000040735049 563923691 /nfs/dbraw/zinc/92/36/91/563923691.db2.gz DVKWNKVFUHIXHA-UHFFFAOYSA-N 1 0 347.502 6.007 50 0 EKAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]CC(C)C ZINC000040735055 213379373 /nfs/dbraw/zinc/37/93/73/213379373.db2.gz BQGLVACVPCBFJT-UHFFFAOYSA-N 1 0 333.475 5.473 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1c(OCc2ccccc2C)ccc2ccccc21 ZINC000040735058 563923654 /nfs/dbraw/zinc/92/36/54/563923654.db2.gz JEIMQGZDJNIKTL-GOSISDBHSA-N 1 0 333.475 5.615 50 0 EKAARO CC[C@H](C)[NH2+]Cc1c(OCc2ccccc2C)ccc2ccccc21 ZINC000040735061 202461302 /nfs/dbraw/zinc/46/13/02/202461302.db2.gz JEIMQGZDJNIKTL-SFHVURJKSA-N 1 0 333.475 5.615 50 0 EKAARO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCC(C)C ZINC000040735168 213378478 /nfs/dbraw/zinc/37/84/78/213378478.db2.gz REPVRWGAJXOQFC-UHFFFAOYSA-N 1 0 347.502 5.863 50 0 EKAARO CCC(C)(C)[NH2+]Cc1c(OCc2ccccc2C)ccc2ccccc21 ZINC000040735172 563923622 /nfs/dbraw/zinc/92/36/22/563923622.db2.gz LRMWRKUUDRHWBJ-UHFFFAOYSA-N 1 0 347.502 6.005 50 0 EKAARO CC[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040735466 213378813 /nfs/dbraw/zinc/37/88/13/213378813.db2.gz GMKFOZQNNNQMHH-UHFFFAOYSA-N 1 0 343.829 5.321 50 0 EKAARO CC[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040735672 213378631 /nfs/dbraw/zinc/37/86/31/213378631.db2.gz GBONTAGRADENJN-UHFFFAOYSA-N 1 0 343.829 5.321 50 0 EKAARO CCC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736081 563974803 /nfs/dbraw/zinc/97/48/03/563974803.db2.gz KRHHBYKRTZEGGO-UHFFFAOYSA-N 1 0 339.866 5.572 50 0 EKAARO Clc1cccc(COc2ccc3ccccc3c2C[NH2+]C2CC2)c1 ZINC000040736132 563974796 /nfs/dbraw/zinc/97/47/96/563974796.db2.gz UHTFWROZOXCYRI-UHFFFAOYSA-N 1 0 337.850 5.324 50 0 EKAARO CC(C)[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736169 213379545 /nfs/dbraw/zinc/37/95/45/213379545.db2.gz BCOFFDRSUJEICD-UHFFFAOYSA-N 1 0 339.866 5.570 50 0 EKAARO CCOc1cc(C[NH2+]C2CCCC2)ccc1OCc1cccc(C)c1 ZINC000040736467 213379593 /nfs/dbraw/zinc/37/95/93/213379593.db2.gz LTTWPBMYSGPCMV-UHFFFAOYSA-N 1 0 339.479 5.005 50 0 EKAARO CCCCC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OCC)c1 ZINC000040736505 213378844 /nfs/dbraw/zinc/37/88/44/213378844.db2.gz QNPBVJGRODIKIO-UHFFFAOYSA-N 1 0 341.495 5.253 50 0 EKAARO CCOc1cc(C[NH2+]CCC(C)C)ccc1OCc1cccc(C)c1 ZINC000040736626 213379537 /nfs/dbraw/zinc/37/95/37/213379537.db2.gz MGMVLWYFVPMKED-UHFFFAOYSA-N 1 0 341.495 5.108 50 0 EKAARO CCOc1cc(C[NH2+]C(C)(C)CC)ccc1OCc1cccc(C)c1 ZINC000040736629 202461063 /nfs/dbraw/zinc/46/10/63/202461063.db2.gz QAIGZWQZNVMZNP-UHFFFAOYSA-N 1 0 341.495 5.251 50 0 EKAARO CCOc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccccc1C ZINC000040736674 213379432 /nfs/dbraw/zinc/37/94/32/213379432.db2.gz KTIBTWMIFJDKCC-UHFFFAOYSA-N 1 0 339.479 5.005 50 0 EKAARO CCCCC[NH2+]Cc1ccc(OCc2ccccc2C)c(OCC)c1 ZINC000040736710 563923794 /nfs/dbraw/zinc/92/37/94/563923794.db2.gz HHXUPKALXMAIBZ-UHFFFAOYSA-N 1 0 341.495 5.253 50 0 EKAARO CCOc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccccc1C ZINC000040736828 563923785 /nfs/dbraw/zinc/92/37/85/563923785.db2.gz HGIHPEQEXCGKRI-UHFFFAOYSA-N 1 0 341.495 5.108 50 0 EKAARO CCOc1cc(C[NH2+]C(C)(C)CC)ccc1OCc1ccccc1C ZINC000040736831 563923809 /nfs/dbraw/zinc/92/38/09/563923809.db2.gz JDJPTKRUTJTHJD-UHFFFAOYSA-N 1 0 341.495 5.251 50 0 EKAARO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OCc1cccc(Cl)c1 ZINC000040737695 213378998 /nfs/dbraw/zinc/37/89/98/213378998.db2.gz VFIYVKNEFDVALG-UHFFFAOYSA-N 1 0 347.886 5.206 50 0 EKAARO CCCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OCC)c1 ZINC000040737717 213378537 /nfs/dbraw/zinc/37/85/37/213378537.db2.gz LOFWTMFSLGGSRB-UHFFFAOYSA-N 1 0 347.886 5.207 50 0 EKAARO CCOc1cc(C[NH2+]CC(C)C)ccc1OCc1cccc(Cl)c1 ZINC000040737755 213379312 /nfs/dbraw/zinc/37/93/12/213379312.db2.gz GLGVKVWDLNQPOR-UHFFFAOYSA-N 1 0 347.886 5.063 50 0 EKAARO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCc1cccc(Cl)c1 ZINC000040737758 213379548 /nfs/dbraw/zinc/37/95/48/213379548.db2.gz GKJUVXUBAOIEPY-OAHLLOKOSA-N 1 0 347.886 5.206 50 0 EKAARO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCc1cccc(Cl)c1 ZINC000040737760 213378651 /nfs/dbraw/zinc/37/86/51/213378651.db2.gz GKJUVXUBAOIEPY-HNNXBMFYSA-N 1 0 347.886 5.206 50 0 EKAARO Cc1cccc(COc2cccc(C[NH2+][C@@H](C)c3ccccc3)c2)c1 ZINC000040738076 202461156 /nfs/dbraw/zinc/46/11/56/202461156.db2.gz YSTVWTDBKGGESU-IBGZPJMESA-N 1 0 331.459 5.425 50 0 EKAARO Cc1cccc(COc2cccc(C[NH2+][C@H](C)c3ccccc3)c2)c1 ZINC000040738079 563923788 /nfs/dbraw/zinc/92/37/88/563923788.db2.gz YSTVWTDBKGGESU-LJQANCHMSA-N 1 0 331.459 5.425 50 0 EKAARO Cc1cccc(COc2cccc(C[NH2+]CCc3ccccc3F)c2)c1 ZINC000040738127 213378849 /nfs/dbraw/zinc/37/88/49/213378849.db2.gz JAFWFCLWAKXJNK-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1cccc(COc2cccc(C[NH2+]CCc3ccc(F)cc3)c2)c1 ZINC000040738129 213379046 /nfs/dbraw/zinc/37/90/46/213379046.db2.gz QUAIOQOYQHIUDU-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1cccc(COc2cccc(C[NH2+]Cc3ccc(F)cc3)c2)c1 ZINC000040738133 213379270 /nfs/dbraw/zinc/37/92/70/213379270.db2.gz YKPFEHHRQIYOHK-UHFFFAOYSA-N 1 0 335.422 5.003 50 0 EKAARO Cc1cccc(COc2cccc(C[NH2+]C(C)(C)CC(C)(C)C)c2)c1 ZINC000040738150 213379429 /nfs/dbraw/zinc/37/94/29/213379429.db2.gz SBCXQPYPGCVNCN-UHFFFAOYSA-N 1 0 339.523 5.878 50 0 EKAARO Cc1cccc(COc2cccc(C[NH2+]C3CCCCCCC3)c2)c1 ZINC000040738153 213379508 /nfs/dbraw/zinc/37/95/08/213379508.db2.gz HIPWZLNUQXEADS-UHFFFAOYSA-N 1 0 337.507 5.777 50 0 EKAARO Cc1ccc(C[NH2+]Cc2cccc(OCc3cccc(C)c3)c2)cc1 ZINC000040738159 213378611 /nfs/dbraw/zinc/37/86/11/213378611.db2.gz KJBGSNFLSHXQRV-UHFFFAOYSA-N 1 0 331.459 5.172 50 0 EKAARO Cc1cccc(COc2cccc(C[NH2+]CCC3=CCCCC3)c2)c1 ZINC000040738208 213379143 /nfs/dbraw/zinc/37/91/43/213379143.db2.gz IQIRQMFTSVMJDV-UHFFFAOYSA-N 1 0 335.491 5.554 50 0 EKAARO Cc1ccccc1COc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000040738247 213379175 /nfs/dbraw/zinc/37/91/75/213379175.db2.gz RNEWNBNVGMXLOZ-IBGZPJMESA-N 1 0 331.459 5.425 50 0 EKAARO Cc1ccccc1COc1cccc(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000040738250 213379349 /nfs/dbraw/zinc/37/93/49/213379349.db2.gz RNEWNBNVGMXLOZ-LJQANCHMSA-N 1 0 331.459 5.425 50 0 EKAARO Cc1ccccc1COc1cccc(C[NH2+]CCc2ccccc2F)c1 ZINC000040738304 202461401 /nfs/dbraw/zinc/46/14/01/202461401.db2.gz RDTRZRLNKQKFGT-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1ccccc1COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1 ZINC000040738307 213378445 /nfs/dbraw/zinc/37/84/45/213378445.db2.gz DINPLEATWSUNNY-UHFFFAOYSA-N 1 0 349.449 5.045 50 0 EKAARO Cc1ccccc1COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1 ZINC000040738312 213379574 /nfs/dbraw/zinc/37/95/74/213379574.db2.gz XWYFWFPJPQZNNU-UHFFFAOYSA-N 1 0 335.422 5.003 50 0 EKAARO Cc1ccccc1COc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000040738330 213378484 /nfs/dbraw/zinc/37/84/84/213378484.db2.gz WWAHCCPDXVQWSZ-UHFFFAOYSA-N 1 0 339.523 5.878 50 0 EKAARO Cc1ccccc1COc1cccc(C[NH2+]C2CCCCCCC2)c1 ZINC000040738332 563923778 /nfs/dbraw/zinc/92/37/78/563923778.db2.gz JSIPOOGVCDABJB-UHFFFAOYSA-N 1 0 337.507 5.777 50 0 EKAARO Cc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C)c2)cc1 ZINC000040738337 563923816 /nfs/dbraw/zinc/92/38/16/563923816.db2.gz XWZXPSNAHXNVCO-UHFFFAOYSA-N 1 0 331.459 5.172 50 0 EKAARO Cc1ccccc1COc1cccc(C[NH2+]CCC2=CCCCC2)c1 ZINC000040738369 213379005 /nfs/dbraw/zinc/37/90/05/213379005.db2.gz IENMXHWKQWUWNZ-UHFFFAOYSA-N 1 0 335.491 5.554 50 0 EKAARO CC(C)(C)[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040738387 213379135 /nfs/dbraw/zinc/37/91/35/213379135.db2.gz SVXVLGIMTPMMHQ-UHFFFAOYSA-N 1 0 338.278 5.461 50 0 EKAARO CCCC[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040738401 202461067 /nfs/dbraw/zinc/46/10/67/202461067.db2.gz ODDYIKFJJJFYAR-UHFFFAOYSA-N 1 0 338.278 5.462 50 0 EKAARO CC(C)C[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040738430 563974963 /nfs/dbraw/zinc/97/49/63/563974963.db2.gz AJAUCDWAQSTONP-UHFFFAOYSA-N 1 0 338.278 5.318 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040738432 563923775 /nfs/dbraw/zinc/92/37/75/563923775.db2.gz JTPAFYLFTQVEOM-CYBMUJFWSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040738434 213379279 /nfs/dbraw/zinc/37/92/79/213379279.db2.gz JTPAFYLFTQVEOM-ZDUSSCGKSA-N 1 0 338.278 5.461 50 0 EKAARO Fc1ccc(COc2cccc(C[NH2+]C3CCCCC3)c2)c(Cl)c1 ZINC000040738521 213379306 /nfs/dbraw/zinc/37/93/06/213379306.db2.gz CQUBUSQLASQZHL-UHFFFAOYSA-N 1 0 347.861 5.480 50 0 EKAARO Fc1ccc(COc2cccc(C[NH2+]C3CCCC3)c2)c(Cl)c1 ZINC000040738541 213378667 /nfs/dbraw/zinc/37/86/67/213378667.db2.gz QTIZRCTYUXYQAU-UHFFFAOYSA-N 1 0 333.834 5.090 50 0 EKAARO CCCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000040738566 213378982 /nfs/dbraw/zinc/37/89/82/213378982.db2.gz QXCKPJFPSZKYOK-UHFFFAOYSA-N 1 0 335.850 5.338 50 0 EKAARO CCCCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000040738568 213379455 /nfs/dbraw/zinc/37/94/55/213379455.db2.gz OEJBMOVQNRVBKO-UHFFFAOYSA-N 1 0 349.877 5.728 50 0 EKAARO CC(C)CC[NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000040738645 213378427 /nfs/dbraw/zinc/37/84/27/213378427.db2.gz FJGSSMBSGNVVDG-UHFFFAOYSA-N 1 0 335.850 5.194 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000040738647 213379193 /nfs/dbraw/zinc/37/91/93/213379193.db2.gz PYUOCTCOTNLDPG-UHFFFAOYSA-N 1 0 335.850 5.336 50 0 EKAARO Fc1cccc(Cl)c1COc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000040738659 213379541 /nfs/dbraw/zinc/37/95/41/213379541.db2.gz WQBQUCAYTGDGEU-UHFFFAOYSA-N 1 0 347.861 5.480 50 0 EKAARO Fc1cccc(Cl)c1COc1cccc(C[NH2+]C2CCCC2)c1 ZINC000040738677 563923782 /nfs/dbraw/zinc/92/37/82/563923782.db2.gz ZJYYGOXKILODST-UHFFFAOYSA-N 1 0 333.834 5.090 50 0 EKAARO CCCCC[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000040738699 213378487 /nfs/dbraw/zinc/37/84/87/213378487.db2.gz MCXPXYOBNRGOKP-UHFFFAOYSA-N 1 0 335.850 5.338 50 0 EKAARO CCCCCC[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000040738701 213378761 /nfs/dbraw/zinc/37/87/61/213378761.db2.gz MGCPKQYMWKDJIV-UHFFFAOYSA-N 1 0 349.877 5.728 50 0 EKAARO CC(C)CC[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000040738777 213379815 /nfs/dbraw/zinc/37/98/15/213379815.db2.gz KCJWOUNTCQJQGA-UHFFFAOYSA-N 1 0 335.850 5.194 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000040738779 213380972 /nfs/dbraw/zinc/38/09/72/213380972.db2.gz OBGIRMDELQWUBM-UHFFFAOYSA-N 1 0 335.850 5.336 50 0 EKAARO CC(C)(C)[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040738794 563974955 /nfs/dbraw/zinc/97/49/55/563974955.db2.gz OHIHGUDWAPKKGJ-UHFFFAOYSA-N 1 0 338.278 5.461 50 0 EKAARO CCCC[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040738808 213380333 /nfs/dbraw/zinc/38/03/33/213380333.db2.gz WQXAHRLXQJQLQV-UHFFFAOYSA-N 1 0 338.278 5.462 50 0 EKAARO CC(C)C[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040738839 213379717 /nfs/dbraw/zinc/37/97/17/213379717.db2.gz RZFHWSHUEGWBRL-UHFFFAOYSA-N 1 0 338.278 5.318 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040738841 213381068 /nfs/dbraw/zinc/38/10/68/213381068.db2.gz IDKIIGBWINUWLV-CYBMUJFWSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040738843 213380538 /nfs/dbraw/zinc/38/05/38/213380538.db2.gz IDKIIGBWINUWLV-ZDUSSCGKSA-N 1 0 338.278 5.461 50 0 EKAARO Clc1cccc(COc2cccc(C[NH2+]Cc3ccccc3)c2)c1 ZINC000040738927 213379695 /nfs/dbraw/zinc/37/96/95/213379695.db2.gz CQVLCBDTQFAFRA-UHFFFAOYSA-N 1 0 337.850 5.209 50 0 EKAARO Clc1cccc(COc2cccc(C[NH2+]C3CCCCC3)c2)c1 ZINC000040738929 213380655 /nfs/dbraw/zinc/38/06/55/213380655.db2.gz MICQPWVVGTWLMB-UHFFFAOYSA-N 1 0 329.871 5.341 50 0 EKAARO Clc1cccc(COc2cccc(C[NH2+]Cc3cccs3)c2)c1 ZINC000040738961 213380486 /nfs/dbraw/zinc/38/04/86/213380486.db2.gz UNDBSVFDJMPWGD-UHFFFAOYSA-N 1 0 343.879 5.270 50 0 EKAARO CCCCCC[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000040738969 213380240 /nfs/dbraw/zinc/38/02/40/213380240.db2.gz RCNDVSIJADKXTQ-UHFFFAOYSA-N 1 0 331.887 5.589 50 0 EKAARO Clc1cccc(COc2cccc(C[NH2+]C3CCCCCC3)c2)c1 ZINC000040738994 213380766 /nfs/dbraw/zinc/38/07/66/213380766.db2.gz YNZKVKJWYMJONO-UHFFFAOYSA-N 1 0 343.898 5.731 50 0 EKAARO CCC[NH2+]Cc1cc(Cl)c(OCc2cccc(C)c2)c(OCC)c1 ZINC000040741838 213380443 /nfs/dbraw/zinc/38/04/43/213380443.db2.gz GGJHVTPTRMRAGG-UHFFFAOYSA-N 1 0 347.886 5.126 50 0 EKAARO CCOc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1cccc(C)c1 ZINC000040741867 213379840 /nfs/dbraw/zinc/37/98/40/213379840.db2.gz QJVXCJCUERKCBQ-UHFFFAOYSA-N 1 0 347.886 5.124 50 0 EKAARO CCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2C)c(OCC)c1 ZINC000040741908 563923795 /nfs/dbraw/zinc/92/37/95/563923795.db2.gz KOAKXPFMFLWDBA-UHFFFAOYSA-N 1 0 347.886 5.126 50 0 EKAARO CCOc1cc(C[NH2+]C(C)C)cc(Cl)c1OCc1ccccc1C ZINC000040741937 213379729 /nfs/dbraw/zinc/37/97/29/213379729.db2.gz PEINIPWSBSTBSW-UHFFFAOYSA-N 1 0 347.886 5.124 50 0 EKAARO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1cccc(C)c1 ZINC000040742350 213380248 /nfs/dbraw/zinc/38/02/48/213380248.db2.gz XAVWRXJMWJTQJJ-UHFFFAOYSA-N 1 0 347.886 5.124 50 0 EKAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040742358 563923772 /nfs/dbraw/zinc/92/37/72/563923772.db2.gz BSJXLBIBNKEULX-UHFFFAOYSA-N 1 0 347.886 5.126 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040742374 213380697 /nfs/dbraw/zinc/38/06/97/213380697.db2.gz DDYJDJZCJFHQGK-OAHLLOKOSA-N 1 0 347.886 5.124 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040742375 213380959 /nfs/dbraw/zinc/38/09/59/213380959.db2.gz DDYJDJZCJFHQGK-HNNXBMFYSA-N 1 0 347.886 5.124 50 0 EKAARO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1ccccc1C ZINC000040742419 213380045 /nfs/dbraw/zinc/38/00/45/213380045.db2.gz CEUVRCUZGHYHQU-UHFFFAOYSA-N 1 0 347.886 5.124 50 0 EKAARO CCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2C)c(OC)c1 ZINC000040742427 213380550 /nfs/dbraw/zinc/38/05/50/213380550.db2.gz XECXQLLFNGJRIB-UHFFFAOYSA-N 1 0 347.886 5.126 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2C)c(OC)c1 ZINC000040742443 213379971 /nfs/dbraw/zinc/37/99/71/213379971.db2.gz VMIVRJYLJOBMCG-OAHLLOKOSA-N 1 0 347.886 5.124 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2C)c(OC)c1 ZINC000040742444 213379944 /nfs/dbraw/zinc/37/99/44/213379944.db2.gz VMIVRJYLJOBMCG-HNNXBMFYSA-N 1 0 347.886 5.124 50 0 EKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]C2CCCCC2)c1 ZINC000040742892 563923804 /nfs/dbraw/zinc/92/38/04/563923804.db2.gz RLJAWKHWZAYYFM-UHFFFAOYSA-N 1 0 343.898 5.650 50 0 EKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]C2CCCC2)c1 ZINC000040742901 213380530 /nfs/dbraw/zinc/38/05/30/213380530.db2.gz RMMHKHUPFQCJGF-UHFFFAOYSA-N 1 0 329.871 5.260 50 0 EKAARO CCCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000040742912 563923798 /nfs/dbraw/zinc/92/37/98/563923798.db2.gz NXKMWXAKVRBETJ-UHFFFAOYSA-N 1 0 331.887 5.507 50 0 EKAARO CCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000040742913 563923800 /nfs/dbraw/zinc/92/38/00/563923800.db2.gz HDIKUVBDEHCVCA-UHFFFAOYSA-N 1 0 345.914 5.897 50 0 EKAARO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]CCC(C)C)c1 ZINC000040742950 213380380 /nfs/dbraw/zinc/38/03/80/213380380.db2.gz FBVKWMROGIWLPF-UHFFFAOYSA-N 1 0 331.887 5.363 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000040742951 213381060 /nfs/dbraw/zinc/38/10/60/213381060.db2.gz VFAKRDOBCPKABN-UHFFFAOYSA-N 1 0 331.887 5.506 50 0 EKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]C1CCCCC1 ZINC000040742957 213380225 /nfs/dbraw/zinc/38/02/25/213380225.db2.gz WBZZPFSESLXZDB-UHFFFAOYSA-N 1 0 343.898 5.650 50 0 EKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]C1CCCC1 ZINC000040742966 213380093 /nfs/dbraw/zinc/38/00/93/213380093.db2.gz CGFCSNCORXPKKH-UHFFFAOYSA-N 1 0 329.871 5.260 50 0 EKAARO CCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1C ZINC000040742977 213379935 /nfs/dbraw/zinc/37/99/35/213379935.db2.gz ULDKKRCYBIKJBC-UHFFFAOYSA-N 1 0 331.887 5.507 50 0 EKAARO CCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1C ZINC000040742978 213380749 /nfs/dbraw/zinc/38/07/49/213380749.db2.gz YWEMESHORLTQNS-UHFFFAOYSA-N 1 0 345.914 5.897 50 0 EKAARO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCC(C)C ZINC000040743040 213380931 /nfs/dbraw/zinc/38/09/31/213380931.db2.gz YBCAFEXSOIYFAZ-UHFFFAOYSA-N 1 0 331.887 5.363 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1C ZINC000040743042 563923812 /nfs/dbraw/zinc/92/38/12/563923812.db2.gz CUYPSEXTZMJRTH-UHFFFAOYSA-N 1 0 331.887 5.506 50 0 EKAARO CC[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040743094 213379659 /nfs/dbraw/zinc/37/96/59/213379659.db2.gz STVISTVBBDVAOB-UHFFFAOYSA-N 1 0 344.669 5.335 50 0 EKAARO CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743215 563975142 /nfs/dbraw/zinc/97/51/42/563975142.db2.gz WJRGMQQLKFRBOY-UHFFFAOYSA-N 1 0 342.241 5.211 50 0 EKAARO CC(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000040743269 213380156 /nfs/dbraw/zinc/38/01/56/213380156.db2.gz OIRBVAYFXRFDFQ-UHFFFAOYSA-N 1 0 342.241 5.210 50 0 EKAARO CCC[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743334 213380856 /nfs/dbraw/zinc/38/08/56/213380856.db2.gz VRNBSMFMSLJEGF-UHFFFAOYSA-N 1 0 342.241 5.211 50 0 EKAARO CC(C)[NH2+]Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000040743384 213381078 /nfs/dbraw/zinc/38/10/78/213381078.db2.gz TVOBJZFDTBXQEO-UHFFFAOYSA-N 1 0 342.241 5.210 50 0 EKAARO CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743447 213380836 /nfs/dbraw/zinc/38/08/36/213380836.db2.gz HQDBGWDQLJJOBG-UHFFFAOYSA-N 1 0 344.669 5.335 50 0 EKAARO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743498 213379711 /nfs/dbraw/zinc/37/97/11/213379711.db2.gz XFCYTBFORHAXML-UHFFFAOYSA-N 1 0 338.278 5.461 50 0 EKAARO CCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743505 213380868 /nfs/dbraw/zinc/38/08/68/213380868.db2.gz LMQULEUNJSBESD-UHFFFAOYSA-N 1 0 338.278 5.462 50 0 EKAARO CC(C)C[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743520 213380498 /nfs/dbraw/zinc/38/04/98/213380498.db2.gz BTKKUFIAAREXRP-UHFFFAOYSA-N 1 0 338.278 5.318 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743521 213379689 /nfs/dbraw/zinc/37/96/89/213379689.db2.gz GBWYQKXLVIDOLW-CYBMUJFWSA-N 1 0 338.278 5.461 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000040743522 213380730 /nfs/dbraw/zinc/38/07/30/213380730.db2.gz GBWYQKXLVIDOLW-ZDUSSCGKSA-N 1 0 338.278 5.461 50 0 EKAARO CC(C)(c1ccccc1)c1ccc(OC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775461 563925003 /nfs/dbraw/zinc/92/50/03/563925003.db2.gz KBEWJBYJCKZLAK-MRXNPFEDSA-N 1 0 343.898 5.044 50 0 EKAARO CC(C)(c1ccccc1)c1ccc(OC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775465 563925039 /nfs/dbraw/zinc/92/50/39/563925039.db2.gz KBEWJBYJCKZLAK-INIZCTEOSA-N 1 0 343.898 5.044 50 0 EKAARO CC(C)(c1ccccc1)c1ccc(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775470 563925010 /nfs/dbraw/zinc/92/50/10/563925010.db2.gz HQQQZOOBIMJSJD-UHFFFAOYSA-N 1 0 343.898 5.044 50 0 EKAARO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000048286128 564030673 /nfs/dbraw/zinc/03/06/73/564030673.db2.gz BHBYKTPTXOUNAJ-FQEVSTJZSA-N 1 0 336.410 5.126 50 0 EKAARO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000048286130 564030696 /nfs/dbraw/zinc/03/06/96/564030696.db2.gz BHBYKTPTXOUNAJ-HXUWFJFHSA-N 1 0 336.410 5.126 50 0 EKAARO c1csc(-c2nc(C[N@H+]3CCC[C@H]3CCc3ccccc3)co2)c1 ZINC000048303676 564030717 /nfs/dbraw/zinc/03/07/17/564030717.db2.gz NEDVEHXSCZROHQ-SFHVURJKSA-N 1 0 338.476 5.000 50 0 EKAARO c1csc(-c2nc(C[N@H+]3CCC[C@@H]3CCc3ccccc3)co2)c1 ZINC000048303678 564030723 /nfs/dbraw/zinc/03/07/23/564030723.db2.gz NEDVEHXSCZROHQ-GOSISDBHSA-N 1 0 338.476 5.000 50 0 EKAARO C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1CCc2ccccc21 ZINC000048343927 564031270 /nfs/dbraw/zinc/03/12/70/564031270.db2.gz YBRBZUVJUQEVBP-HXUWFJFHSA-N 1 0 338.838 5.114 50 0 EKAARO C[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@H]1CCc2ccccc21 ZINC000048343929 564031261 /nfs/dbraw/zinc/03/12/61/564031261.db2.gz YBRBZUVJUQEVBP-FQEVSTJZSA-N 1 0 338.838 5.114 50 0 EKAARO c1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccccc3)n2)cc1 ZINC000048524312 564129308 /nfs/dbraw/zinc/12/93/08/564129308.db2.gz AFFQSYWZHDKOJF-UHFFFAOYSA-N 1 0 326.444 6.425 50 0 EKAARO FC(F)[n+]1c(-c2ccc(-c3ccccc3)cc2)cn2c1SCCC2 ZINC000048554984 564129428 /nfs/dbraw/zinc/12/94/28/564129428.db2.gz ADKHVNMFWOFPRS-UHFFFAOYSA-N 1 0 343.422 5.001 50 0 EKAARO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000048747358 564032195 /nfs/dbraw/zinc/03/21/95/564032195.db2.gz NWRURIMFLBKSTI-MRXNPFEDSA-N 1 0 343.430 5.049 50 0 EKAARO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000048747359 564032235 /nfs/dbraw/zinc/03/22/35/564032235.db2.gz NWRURIMFLBKSTI-INIZCTEOSA-N 1 0 343.430 5.049 50 0 EKAARO Cc1ccc2c(C[NH2+][C@@H](c3cccs3)C(C)(C)C)cc(=O)oc2c1 ZINC000052838394 214149911 /nfs/dbraw/zinc/14/99/11/214149911.db2.gz MLZZNZCFNALKEC-IBGZPJMESA-N 1 0 341.476 5.040 50 0 EKAARO Cc1ccc2c(C[NH2+][C@H](c3cccs3)C(C)(C)C)cc(=O)oc2c1 ZINC000052838396 214150099 /nfs/dbraw/zinc/15/00/99/214150099.db2.gz MLZZNZCFNALKEC-LJQANCHMSA-N 1 0 341.476 5.040 50 0 EKAARO c1cc2n(c1)-c1ccccc1C[NH2+][C@@H]2c1ccc2c(c1)Cc1ccccc1-2 ZINC000055095247 564133798 /nfs/dbraw/zinc/13/37/98/564133798.db2.gz XKELCQNIGDHOON-RUZDIDTESA-N 1 0 348.449 5.241 50 0 EKAARO c1cc2n(c1)-c1ccccc1C[NH2+][C@H]2c1ccc2c(c1)Cc1ccccc1-2 ZINC000055095248 214271790 /nfs/dbraw/zinc/27/17/90/214271790.db2.gz XKELCQNIGDHOON-VWLOTQADSA-N 1 0 348.449 5.241 50 0 EKAARO C[C@@H]1C(c2ccccc2)=C[C@@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000057294281 564153463 /nfs/dbraw/zinc/15/34/63/564153463.db2.gz UZUCCSMLMFNSDR-BTZRARBUSA-N 1 0 339.482 6.134 50 0 EKAARO C[C@@H]1C(c2ccccc2)=C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000057294285 564153493 /nfs/dbraw/zinc/15/34/93/564153493.db2.gz UZUCCSMLMFNSDR-NGXZDTIWSA-N 1 0 339.482 6.134 50 0 EKAARO C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000057315273 564153548 /nfs/dbraw/zinc/15/35/48/564153548.db2.gz XGPDUCSHOQTBSA-ROUUACIJSA-N 1 0 344.458 5.031 50 0 EKAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 ZINC000057315274 564153531 /nfs/dbraw/zinc/15/35/31/564153531.db2.gz XGPDUCSHOQTBSA-MSOLQXFVSA-N 1 0 344.458 5.031 50 0 EKAARO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000057315275 564153559 /nfs/dbraw/zinc/15/35/59/564153559.db2.gz XGPDUCSHOQTBSA-ZWKOTPCHSA-N 1 0 344.458 5.031 50 0 EKAARO C[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000057315276 564153511 /nfs/dbraw/zinc/15/35/11/564153511.db2.gz XGPDUCSHOQTBSA-QZTJIDSGSA-N 1 0 344.458 5.031 50 0 EKAARO Cc1ccc2cc(C[NH2+][C@@H](c3cccs3)C(C)C)c(Cl)nc2c1 ZINC000057364680 564153789 /nfs/dbraw/zinc/15/37/89/564153789.db2.gz FUYDCTKQATYMKD-GOSISDBHSA-N 1 0 344.911 5.745 50 0 EKAARO Cc1ccc2cc(C[NH2+][C@H](c3cccs3)C(C)C)c(Cl)nc2c1 ZINC000057364681 564153772 /nfs/dbraw/zinc/15/37/72/564153772.db2.gz FUYDCTKQATYMKD-SFHVURJKSA-N 1 0 344.911 5.745 50 0 EKAARO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000057456767 564154328 /nfs/dbraw/zinc/15/43/28/564154328.db2.gz YAFFIAHOANXRDH-GOSISDBHSA-N 1 0 338.495 5.025 50 0 EKAARO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000057456770 564154356 /nfs/dbraw/zinc/15/43/56/564154356.db2.gz YAFFIAHOANXRDH-SFHVURJKSA-N 1 0 338.495 5.025 50 0 EKAARO CC[N@@H+](Cc1ccccc1)Cn1c(=S)sc2ccc(Cl)cc21 ZINC000057457819 564154353 /nfs/dbraw/zinc/15/43/53/564154353.db2.gz MDGOYZMQYDSHGM-UHFFFAOYSA-N 1 0 348.924 5.565 50 0 EKAARO c1ccc2sc([C@@H]3CCC[N@H+]3Cc3cccc4cccnc43)nc2c1 ZINC000057856134 564156198 /nfs/dbraw/zinc/15/61/98/564156198.db2.gz WMTHLLMSQTWKOI-SFHVURJKSA-N 1 0 345.471 5.182 50 0 EKAARO c1ccc2sc([C@H]3CCC[N@H+]3Cc3cccc4cccnc43)nc2c1 ZINC000057856137 564156214 /nfs/dbraw/zinc/15/62/14/564156214.db2.gz WMTHLLMSQTWKOI-GOSISDBHSA-N 1 0 345.471 5.182 50 0 EKAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000058045326 563936928 /nfs/dbraw/zinc/93/69/28/563936928.db2.gz CGXQDBJJTJDIAA-SFHVURJKSA-N 1 0 338.476 5.357 50 0 EKAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000058045335 563936962 /nfs/dbraw/zinc/93/69/62/563936962.db2.gz CGXQDBJJTJDIAA-GOSISDBHSA-N 1 0 338.476 5.357 50 0 EKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(OCc2cscn2)cc1 ZINC000058108578 214479189 /nfs/dbraw/zinc/47/91/89/214479189.db2.gz PPKIBZULIUSXQW-UHFFFAOYSA-N 1 0 332.513 5.027 50 0 EKAARO CCc1cccc2c(C(=O)[C@H]([NH2+][C@@H](C)CC)c3ccccc3)c[nH]c21 ZINC000058166972 563938715 /nfs/dbraw/zinc/93/87/15/563938715.db2.gz WHKXEEKQWUZWAX-YCRPNKLZSA-N 1 0 334.463 5.042 50 0 EKAARO CCc1cccc2c(C(=O)[C@@H]([NH2+][C@@H](C)CC)c3ccccc3)c[nH]c21 ZINC000058166973 563938759 /nfs/dbraw/zinc/93/87/59/563938759.db2.gz WHKXEEKQWUZWAX-BTYIYWSLSA-N 1 0 334.463 5.042 50 0 EKAARO CCc1cccc2c(C(=O)[C@H]([NH2+][C@H](C)CC)c3ccccc3)c[nH]c21 ZINC000058166974 563938713 /nfs/dbraw/zinc/93/87/13/563938713.db2.gz WHKXEEKQWUZWAX-QVKFZJNVSA-N 1 0 334.463 5.042 50 0 EKAARO CCc1cccc2c(C(=O)[C@@H]([NH2+][C@H](C)CC)c3ccccc3)c[nH]c21 ZINC000058166976 563938748 /nfs/dbraw/zinc/93/87/48/563938748.db2.gz WHKXEEKQWUZWAX-VFNWGFHPSA-N 1 0 334.463 5.042 50 0 EKAARO CCCC[NH2+][C@H](C(=O)c1c[nH]c2c1cccc2CC)c1ccccc1 ZINC000058167003 563938755 /nfs/dbraw/zinc/93/87/55/563938755.db2.gz GRVZLZDZFGPLPO-NRFANRHFSA-N 1 0 334.463 5.044 50 0 EKAARO CCCC[NH2+][C@@H](C(=O)c1c[nH]c2c1cccc2CC)c1ccccc1 ZINC000058167004 214491055 /nfs/dbraw/zinc/49/10/55/214491055.db2.gz GRVZLZDZFGPLPO-OAQYLSRUSA-N 1 0 334.463 5.044 50 0 EKAARO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000058419667 563945712 /nfs/dbraw/zinc/94/57/12/563945712.db2.gz BGMJSOJQSCTYOG-NRFANRHFSA-N 1 0 332.447 5.296 50 0 EKAARO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000058419668 563945694 /nfs/dbraw/zinc/94/56/94/563945694.db2.gz BGMJSOJQSCTYOG-OAQYLSRUSA-N 1 0 332.447 5.296 50 0 EKAARO Clc1ccc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)s1 ZINC000058424941 563946033 /nfs/dbraw/zinc/94/60/33/563946033.db2.gz KSVZVAIBKRSUOZ-UHFFFAOYSA-N 1 0 330.884 5.262 50 0 EKAARO Fc1ccc(-c2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)s2)cc1 ZINC000058473907 563946694 /nfs/dbraw/zinc/94/66/94/563946694.db2.gz GSKWMZGZVGHNSJ-UHFFFAOYSA-N 1 0 336.435 5.325 50 0 EKAARO CCC[N@H+](Cc1c(C)noc1C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000059350329 563948086 /nfs/dbraw/zinc/94/80/86/563948086.db2.gz SJVHLEUVLBFWMN-LBPRGKRZSA-N 1 0 341.282 5.571 50 0 EKAARO CCC[N@H+](Cc1c(C)noc1C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000059350330 563948043 /nfs/dbraw/zinc/94/80/43/563948043.db2.gz SJVHLEUVLBFWMN-GFCCVEGCSA-N 1 0 341.282 5.571 50 0 EKAARO Cc1noc(C)c1C[N@@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000059578080 564161566 /nfs/dbraw/zinc/16/15/66/564161566.db2.gz KZJTUJXMTCVUGZ-LBPRGKRZSA-N 1 0 338.373 5.036 50 0 EKAARO Cc1noc(C)c1C[N@@H+]([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000059578082 564161557 /nfs/dbraw/zinc/16/15/57/564161557.db2.gz KZJTUJXMTCVUGZ-GFCCVEGCSA-N 1 0 338.373 5.036 50 0 EKAARO Cc1ccc(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)s1 ZINC000060953434 563992169 /nfs/dbraw/zinc/99/21/69/563992169.db2.gz OWNFGBLFLAKSIO-FQEVSTJZSA-N 1 0 343.442 5.408 50 0 EKAARO Cc1ccc(SC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000063598831 563955617 /nfs/dbraw/zinc/95/56/17/563955617.db2.gz WRDWVNSZGSXGIH-UHFFFAOYSA-N 1 0 345.511 5.561 50 0 EKAARO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)o1 ZINC000064637251 564094615 /nfs/dbraw/zinc/09/46/15/564094615.db2.gz SOHAIMWVIJPTBZ-IBGZPJMESA-N 1 0 334.463 5.462 50 0 EKAARO CC(C)(C)[C@@H]([NH2+]Cc1csc(-c2ccsc2)n1)c1cccs1 ZINC000064638023 564094609 /nfs/dbraw/zinc/09/46/09/564094609.db2.gz OZGBCPOGKGRUHH-HNNXBMFYSA-N 1 0 348.562 5.810 50 0 EKAARO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2)on1 ZINC000064984447 563957554 /nfs/dbraw/zinc/95/75/54/563957554.db2.gz LSSMGFZUSGGOGA-INIZCTEOSA-N 1 0 338.373 5.154 50 0 EKAARO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2)on1 ZINC000064984449 563957559 /nfs/dbraw/zinc/95/75/59/563957559.db2.gz LSSMGFZUSGGOGA-MRXNPFEDSA-N 1 0 338.373 5.154 50 0 EKAARO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984481 563957483 /nfs/dbraw/zinc/95/74/83/563957483.db2.gz XBKLWTFNMOONOC-HXUWFJFHSA-N 1 0 342.483 5.314 50 0 EKAARO CCCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984483 563957479 /nfs/dbraw/zinc/95/74/79/563957479.db2.gz XBKLWTFNMOONOC-FQEVSTJZSA-N 1 0 342.483 5.314 50 0 EKAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccc2[nH]c(C)c(C)c2c1 ZINC000065013694 564099591 /nfs/dbraw/zinc/09/95/91/564099591.db2.gz NGUKVZADXUUMAV-UHFFFAOYSA-N 1 0 344.458 5.236 50 0 EKAARO Cc1nnc(-c2ccccc2-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)o1 ZINC000065424555 563960702 /nfs/dbraw/zinc/96/07/02/563960702.db2.gz WTDXJBOKYCULOH-MRXNPFEDSA-N 1 0 347.462 5.259 50 0 EKAARO Cc1nnc(-c2ccccc2-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)o1 ZINC000065424558 563960655 /nfs/dbraw/zinc/96/06/55/563960655.db2.gz WTDXJBOKYCULOH-INIZCTEOSA-N 1 0 347.462 5.259 50 0 EKAARO CC[C@H]([NH2+]Cc1cnc(-c2ccccc2C)s1)c1cc(C)ccn1 ZINC000065507753 563961723 /nfs/dbraw/zinc/96/17/23/563961723.db2.gz GQUVRNRKKCNGQK-SFHVURJKSA-N 1 0 337.492 5.063 50 0 EKAARO CC[C@@H]([NH2+]Cc1cnc(-c2ccccc2C)s1)c1cc(C)ccn1 ZINC000065507755 563961689 /nfs/dbraw/zinc/96/16/89/563961689.db2.gz GQUVRNRKKCNGQK-GOSISDBHSA-N 1 0 337.492 5.063 50 0 EKAARO CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H](c2cccs2)C(C)(C)C)c1C ZINC000065564331 564107025 /nfs/dbraw/zinc/10/70/25/564107025.db2.gz UTKOJYRJCJDKSO-FQEVSTJZSA-N 1 0 343.536 5.753 50 0 EKAARO CC(=O)c1c(C)cc(C)c(C[NH2+][C@H](c2cccs2)C(C)(C)C)c1C ZINC000065564332 564107052 /nfs/dbraw/zinc/10/70/52/564107052.db2.gz UTKOJYRJCJDKSO-HXUWFJFHSA-N 1 0 343.536 5.753 50 0 EKAARO C[N@H+](Cc1ccccc1NC(=O)C=C1CCCCC1)C1CCCCC1 ZINC000065775105 564117982 /nfs/dbraw/zinc/11/79/82/564117982.db2.gz NWRIMJHYDAIEJM-UHFFFAOYSA-N 1 0 340.511 5.280 50 0 EKAARO CCOc1cc(C[NH+]2CCCC2)ccc1Oc1nccc2ccccc21 ZINC000067676241 215182787 /nfs/dbraw/zinc/18/27/87/215182787.db2.gz URGNJMCGFOVNMZ-UHFFFAOYSA-N 1 0 348.446 5.022 50 0 EKAARO CCS[C@H](c1[nH]c2ccccc2c1CC[NH+](C)C)c1ccccc1 ZINC000071769156 215823040 /nfs/dbraw/zinc/82/30/40/215823040.db2.gz MMYIBOYZAPLAAX-NRFANRHFSA-N 1 0 338.520 5.115 50 0 EKAARO CCS[C@@H](c1[nH]c2ccccc2c1CC[NH+](C)C)c1ccccc1 ZINC000071769157 215822608 /nfs/dbraw/zinc/82/26/08/215822608.db2.gz MMYIBOYZAPLAAX-OAQYLSRUSA-N 1 0 338.520 5.115 50 0 EKAARO CCC[NH+](CCC)CCCCOC(c1ccccc1)c1ccccc1 ZINC000071769273 563965556 /nfs/dbraw/zinc/96/55/56/563965556.db2.gz AESRVTFTYFCFCB-UHFFFAOYSA-N 1 0 339.523 5.695 50 0 EKAARO C1CCC(C2C[C@@H](C3CCCCC3)[NH2+][C@H](C3CCCCC3)C2)CC1 ZINC000071770682 215822551 /nfs/dbraw/zinc/82/25/51/215822551.db2.gz BOWYTYOCTVPDHY-GOTSBHOMSA-N 1 0 331.588 6.464 50 0 EKAARO C1CCC(C2C[C@H](C3CCCCC3)[NH2+][C@@H](C3CCCCC3)C2)CC1 ZINC000071770683 215822984 /nfs/dbraw/zinc/82/29/84/215822984.db2.gz BOWYTYOCTVPDHY-DHIUTWEWSA-N 1 0 331.588 6.464 50 0 EKAARO CCCC(C[C@@H]1CC2CC[NH+]1CC2)(c1ccccc1)c1ccccc1 ZINC000071770740 215823091 /nfs/dbraw/zinc/82/30/91/215823091.db2.gz SGXVRWUBWMJFOV-QHCPKHFHSA-N 1 0 333.519 5.647 50 0 EKAARO CCCC(C[C@H]1CC2CC[NH+]1CC2)(c1ccccc1)c1ccccc1 ZINC000071770741 203111697 /nfs/dbraw/zinc/11/16/97/203111697.db2.gz SGXVRWUBWMJFOV-HSZRJFAPSA-N 1 0 333.519 5.647 50 0 EKAARO CC(=C(c1ccccc1)c1ccccc1)[PH+](C(C)(C)C)C(C)(C)C ZINC000071773446 563965682 /nfs/dbraw/zinc/96/56/82/563965682.db2.gz CYGZMOQFIMJEIT-UHFFFAOYSA-N 1 0 338.475 7.545 50 0 EKAARO c1cc(C23CC4CC(CC(C4)C2)C3)cc2c3c4n(c12)C[NH2+]C[C@H]4CCC3 ZINC000071788722 563965809 /nfs/dbraw/zinc/96/58/09/563965809.db2.gz QELBLQBJVCEGND-ZWGBCBFGSA-N 1 0 346.518 5.090 50 0 EKAARO CC(C)(C)[C@H]([NH2+]Cc1csc(-c2ccsc2)n1)c1cccs1 ZINC000071822587 564175628 /nfs/dbraw/zinc/17/56/28/564175628.db2.gz OZGBCPOGKGRUHH-OAHLLOKOSA-N 1 0 348.562 5.810 50 0 EKAARO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)o1 ZINC000071824910 564111287 /nfs/dbraw/zinc/11/12/87/564111287.db2.gz SOHAIMWVIJPTBZ-LJQANCHMSA-N 1 0 334.463 5.462 50 0 EKAARO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000072312285 563983898 /nfs/dbraw/zinc/98/38/98/563983898.db2.gz QRMQVLLKWRLZOC-LBPRGKRZSA-N 1 0 346.261 5.234 50 0 EKAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000072312286 563929288 /nfs/dbraw/zinc/92/92/88/563929288.db2.gz QRMQVLLKWRLZOC-GFCCVEGCSA-N 1 0 346.261 5.234 50 0 EKAARO CC[NH+](CC)CC[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000075251304 564081158 /nfs/dbraw/zinc/08/11/58/564081158.db2.gz OOVSSKPMBKAFNW-IBGZPJMESA-N 1 0 329.871 5.038 50 0 EKAARO CC[NH+](CC)CC[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000075251306 564081169 /nfs/dbraw/zinc/08/11/69/564081169.db2.gz OOVSSKPMBKAFNW-LJQANCHMSA-N 1 0 329.871 5.038 50 0 EKAARO Clc1ccc(OCCCC[NH2+]Cc2ccco2)c2ccccc12 ZINC000075259735 564081241 /nfs/dbraw/zinc/08/12/41/564081241.db2.gz RCJXPSNBSKDOEF-UHFFFAOYSA-N 1 0 329.827 5.035 50 0 EKAARO Cc1cc(C)c(C(OCC[NH+](C)C)c2c(C)cc(C)cc2C)c(C)c1 ZINC000075260843 564081229 /nfs/dbraw/zinc/08/12/29/564081229.db2.gz XQNBTTZEWLIVHN-UHFFFAOYSA-N 1 0 339.523 5.205 50 0 EKAARO [NH3+]C[C@@H](O[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000075274146 564081310 /nfs/dbraw/zinc/08/13/10/564081310.db2.gz UDDWSWQZGUNRBF-RTWAWAEBSA-N 1 0 337.850 5.146 50 0 EKAARO [NH3+]C[C@H](O[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000075274149 564081363 /nfs/dbraw/zinc/08/13/63/564081363.db2.gz UDDWSWQZGUNRBF-SFTDATJTSA-N 1 0 337.850 5.146 50 0 EKAARO [NH3+]C[C@@H](O[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000075274152 564081350 /nfs/dbraw/zinc/08/13/50/564081350.db2.gz UDDWSWQZGUNRBF-NHCUHLMSSA-N 1 0 337.850 5.146 50 0 EKAARO [NH3+]C[C@H](O[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000075274155 564081362 /nfs/dbraw/zinc/08/13/62/564081362.db2.gz UDDWSWQZGUNRBF-LEWJYISDSA-N 1 0 337.850 5.146 50 0 EKAARO c1ccc(-c2s[s+]c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000075283830 564081513 /nfs/dbraw/zinc/08/15/13/564081513.db2.gz PVQQIIQXAPTHRZ-UHFFFAOYSA-N 1 0 331.485 7.092 50 0 EKAARO C[N@@H+]1CCC[C@H](Oc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000075286077 564081542 /nfs/dbraw/zinc/08/15/42/564081542.db2.gz KUDQMOQCCUIWNR-SFHVURJKSA-N 1 0 336.262 5.133 50 0 EKAARO C[N@@H+]1CCC[C@@H](Oc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000075286079 564081559 /nfs/dbraw/zinc/08/15/59/564081559.db2.gz KUDQMOQCCUIWNR-GOSISDBHSA-N 1 0 336.262 5.133 50 0 EKAARO CCC(CC)c1cc[n+](Cc2csc(-c3ccccc3F)n2)cc1 ZINC000077397254 564176707 /nfs/dbraw/zinc/17/67/07/564176707.db2.gz FRLHUJPDUQBSLV-UHFFFAOYSA-N 1 0 341.475 5.189 50 0 EKAARO c1cc(-c2nc(C[NH2+][C@@H](c3ccccc3)C3CC3)cs2)cs1 ZINC000078347672 564176935 /nfs/dbraw/zinc/17/69/35/564176935.db2.gz REUIQDWGQAIPOB-KRWDZBQOSA-N 1 0 326.490 5.113 50 0 EKAARO c1cc(-c2nc(C[NH2+][C@H](c3ccccc3)C3CC3)cs2)cs1 ZINC000078347674 564176943 /nfs/dbraw/zinc/17/69/43/564176943.db2.gz REUIQDWGQAIPOB-QGZVFWFLSA-N 1 0 326.490 5.113 50 0 EKAARO c1ccc(CCCCOCCCCCC[NH2+]Cc2ccccc2)cc1 ZINC000079047665 217180565 /nfs/dbraw/zinc/18/05/65/217180565.db2.gz JWLIKZBRVQRFNF-UHFFFAOYSA-N 1 0 339.523 5.376 50 0 EKAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000083970452 564065352 /nfs/dbraw/zinc/06/53/52/564065352.db2.gz VNONECURBHXUCM-UHFFFAOYSA-N 1 0 345.364 5.157 50 0 EKAARO CC(C)(C)[C@H]([NH2+]Cc1csc(-c2cccs2)n1)c1cccs1 ZINC000084169297 564067102 /nfs/dbraw/zinc/06/71/02/564067102.db2.gz RSAWAJBIGFADCD-OAHLLOKOSA-N 1 0 348.562 5.810 50 0 EKAARO CC(C)(C)[C@@H]([NH2+]Cc1csc(-c2cccs2)n1)c1cccs1 ZINC000084169300 564067110 /nfs/dbraw/zinc/06/71/10/564067110.db2.gz RSAWAJBIGFADCD-HNNXBMFYSA-N 1 0 348.562 5.810 50 0 EKAARO Cc1ccc(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)s1 ZINC000084205528 564067421 /nfs/dbraw/zinc/06/74/21/564067421.db2.gz OWNFGBLFLAKSIO-HXUWFJFHSA-N 1 0 343.442 5.408 50 0 EKAARO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000084374537 564068002 /nfs/dbraw/zinc/06/80/02/564068002.db2.gz IRXJISAZLYFBEI-JKSUJKDBSA-N 1 0 341.417 5.219 50 0 EKAARO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000084374538 564067973 /nfs/dbraw/zinc/06/79/73/564067973.db2.gz IRXJISAZLYFBEI-HOTGVXAUSA-N 1 0 341.417 5.219 50 0 EKAARO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000084374539 564068009 /nfs/dbraw/zinc/06/80/09/564068009.db2.gz IRXJISAZLYFBEI-HZPDHXFCSA-N 1 0 341.417 5.219 50 0 EKAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000084374540 564068022 /nfs/dbraw/zinc/06/80/22/564068022.db2.gz IRXJISAZLYFBEI-CVEARBPZSA-N 1 0 341.417 5.219 50 0 EKAARO Clc1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)s1 ZINC000084525692 564068529 /nfs/dbraw/zinc/06/85/29/564068529.db2.gz ZANUVQKGWJMOEG-SFHVURJKSA-N 1 0 327.880 5.475 50 0 EKAARO Clc1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)s1 ZINC000084525693 564068522 /nfs/dbraw/zinc/06/85/22/564068522.db2.gz ZANUVQKGWJMOEG-GOSISDBHSA-N 1 0 327.880 5.475 50 0 EKAARO CCCCCc1ccc(N[N+](=O)c2ccc(CCCCC)cc2)cc1 ZINC000086863103 564061923 /nfs/dbraw/zinc/06/19/23/564061923.db2.gz ZGRSPSBDFCOZNH-UHFFFAOYSA-N 1 0 339.503 6.590 50 0 EKAARO Cc1cc(NCC2([NH+]3CCCCC3)CCCCC2)c2ccccc2[nH+]1 ZINC000089583149 564092956 /nfs/dbraw/zinc/09/29/56/564092956.db2.gz CMNYBSAPCITOFO-UHFFFAOYSA-N 1 0 337.511 5.144 50 0 EKAARO Cc1cc(NCC2(Nc3ccccc3)CCCCC2)c2ccccc2[nH+]1 ZINC000089583156 217814893 /nfs/dbraw/zinc/81/48/93/217814893.db2.gz WZIDIZGMZVWPSI-UHFFFAOYSA-N 1 0 345.490 5.770 50 0 EKAARO Clc1ccc2cccnc2c1C[N@H+]1CC=C(c2cccs2)CC1 ZINC000089807898 564113933 /nfs/dbraw/zinc/11/39/33/564113933.db2.gz WIBMVNZWPRRNMX-UHFFFAOYSA-N 1 0 340.879 5.239 50 0 EKAARO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000090046100 564116195 /nfs/dbraw/zinc/11/61/95/564116195.db2.gz RUGWQYOAUPOORM-VKJFTORMSA-N 1 0 349.503 5.413 50 0 EKAARO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000090046102 564116208 /nfs/dbraw/zinc/11/62/08/564116208.db2.gz RUGWQYOAUPOORM-RVKKMQEKSA-N 1 0 349.503 5.413 50 0 EKAARO CC[NH+](CC)Cc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1 ZINC000091695648 218050328 /nfs/dbraw/zinc/05/03/28/218050328.db2.gz LRJLWGHBXMHXRC-UHFFFAOYSA-N 1 0 342.792 5.263 50 0 EKAARO C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1cccc2ccccc21 ZINC000095407524 218344191 /nfs/dbraw/zinc/34/41/91/218344191.db2.gz PCMRLGDSGVRBOK-SFHVURJKSA-N 1 0 345.490 5.076 50 0 EKAARO C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1cccc2ccccc21 ZINC000095407525 218344047 /nfs/dbraw/zinc/34/40/47/218344047.db2.gz PCMRLGDSGVRBOK-GOSISDBHSA-N 1 0 345.490 5.076 50 0 EKAARO C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccc2ccccc2c1 ZINC000095407526 218344146 /nfs/dbraw/zinc/34/41/46/218344146.db2.gz QHEVUHQFXGHMNM-SFHVURJKSA-N 1 0 345.490 5.076 50 0 EKAARO C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccc2ccccc2c1 ZINC000095407527 564139586 /nfs/dbraw/zinc/13/95/86/564139586.db2.gz QHEVUHQFXGHMNM-GOSISDBHSA-N 1 0 345.490 5.076 50 0 EKAARO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 ZINC000095421262 218363496 /nfs/dbraw/zinc/36/34/96/218363496.db2.gz ZOZDPQHMZLIPPJ-OLZOCXBDSA-N 1 0 341.480 5.135 50 0 EKAARO Cc1cc([C@H](C)[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 ZINC000095421263 218362813 /nfs/dbraw/zinc/36/28/13/218362813.db2.gz ZOZDPQHMZLIPPJ-STQMWFEESA-N 1 0 341.480 5.135 50 0 EKAARO Cc1cc([C@@H](C)[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 ZINC000095421264 218362606 /nfs/dbraw/zinc/36/26/06/218362606.db2.gz ZOZDPQHMZLIPPJ-CHWSQXEVSA-N 1 0 341.480 5.135 50 0 EKAARO Cc1cc([C@H](C)[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 ZINC000095421265 218362947 /nfs/dbraw/zinc/36/29/47/218362947.db2.gz ZOZDPQHMZLIPPJ-QWHCGFSZSA-N 1 0 341.480 5.135 50 0 EKAARO CCOCOc1ccc(C[NH2+][C@@H](C)c2cccc3ccccc32)cc1 ZINC000095462181 564140818 /nfs/dbraw/zinc/14/08/18/564140818.db2.gz JIPMGMVUQDQLPY-KRWDZBQOSA-N 1 0 335.447 5.063 50 0 EKAARO CCOCOc1ccc(C[NH2+][C@H](C)c2cccc3ccccc32)cc1 ZINC000095462182 564140858 /nfs/dbraw/zinc/14/08/58/564140858.db2.gz JIPMGMVUQDQLPY-QGZVFWFLSA-N 1 0 335.447 5.063 50 0 EKAARO Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C ZINC000095836500 563977696 /nfs/dbraw/zinc/97/76/96/563977696.db2.gz PIFXUIIBYSDKKY-UHFFFAOYSA-N 1 0 338.454 5.340 50 0 EKAARO Cc1nc(C[NH2+]C(CCc2ccccc2)CCc2ccccc2)oc1C ZINC000095943578 564142130 /nfs/dbraw/zinc/14/21/30/564142130.db2.gz GJHRUWCYOQDMLJ-UHFFFAOYSA-N 1 0 348.490 5.015 50 0 EKAARO C[C@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(-c2ccccc2F)s1 ZINC000095967097 564142990 /nfs/dbraw/zinc/14/29/90/564142990.db2.gz HYAFICGCVNBABQ-KBPBESRZSA-N 1 0 326.440 5.361 50 0 EKAARO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1)c1ccncc1 ZINC000095967098 564142981 /nfs/dbraw/zinc/14/29/81/564142981.db2.gz HYAFICGCVNBABQ-KGLIPLIRSA-N 1 0 326.440 5.361 50 0 EKAARO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(-c2ccccc2F)s1 ZINC000095967099 564142994 /nfs/dbraw/zinc/14/29/94/564142994.db2.gz HYAFICGCVNBABQ-UONOGXRCSA-N 1 0 326.440 5.361 50 0 EKAARO C[C@@H]([NH2+][C@H](C)c1ccncc1)c1ccc(-c2ccccc2F)s1 ZINC000095967100 564143002 /nfs/dbraw/zinc/14/30/02/564143002.db2.gz HYAFICGCVNBABQ-ZIAGYGMSSA-N 1 0 326.440 5.361 50 0 EKAARO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000095968011 564143113 /nfs/dbraw/zinc/14/31/13/564143113.db2.gz OQMDZDRJRLCFNJ-VHSXEESVSA-N 1 0 326.412 5.018 50 0 EKAARO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000095968012 564143151 /nfs/dbraw/zinc/14/31/51/564143151.db2.gz OQMDZDRJRLCFNJ-UWVGGRQHSA-N 1 0 326.412 5.018 50 0 EKAARO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000095968013 564143147 /nfs/dbraw/zinc/14/31/47/564143147.db2.gz OQMDZDRJRLCFNJ-NXEZZACHSA-N 1 0 326.412 5.018 50 0 EKAARO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000095968014 564143153 /nfs/dbraw/zinc/14/31/53/564143153.db2.gz OQMDZDRJRLCFNJ-ZJUUUORDSA-N 1 0 326.412 5.018 50 0 EKAARO C[NH+](C)CCS[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000096026368 564144934 /nfs/dbraw/zinc/14/49/34/564144934.db2.gz XACPRDBUDHEVBD-KRWDZBQOSA-N 1 0 340.319 5.378 50 0 EKAARO C[NH+](C)CCS[C@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000096026369 564144928 /nfs/dbraw/zinc/14/49/28/564144928.db2.gz XACPRDBUDHEVBD-QGZVFWFLSA-N 1 0 340.319 5.378 50 0 EKAARO Clc1ccc(C([NH2+]C2CCCCC2)c2ccc(Cl)cc2)cc1 ZINC000096026554 564144968 /nfs/dbraw/zinc/14/49/68/564144968.db2.gz DLCJEKRKLHKYIX-UHFFFAOYSA-N 1 0 334.290 6.005 50 0 EKAARO C[NH+](C)CCCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000096026564 564144951 /nfs/dbraw/zinc/14/49/51/564144951.db2.gz CJINCAOAQFKNLA-UHFFFAOYSA-N 1 0 338.278 5.051 50 0 EKAARO c1ccc2c(c1)-c1ccccc1C2C1([NH+]2CCCCC2)CCCCC1 ZINC000096026711 564144965 /nfs/dbraw/zinc/14/49/65/564144965.db2.gz PPAJNYZRTYILBW-UHFFFAOYSA-N 1 0 331.503 5.988 50 0 EKAARO c1ccc(Oc2ccc(C3([NH+]4CCCCC4)CCCCC3)cc2)cc1 ZINC000096026746 564144953 /nfs/dbraw/zinc/14/49/53/564144953.db2.gz NFDPAPMYWGXPAU-UHFFFAOYSA-N 1 0 335.491 6.124 50 0 EKAARO c1ccc(CCCCC2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000096027185 564145007 /nfs/dbraw/zinc/14/50/07/564145007.db2.gz VZOISGCSNANZIC-UHFFFAOYSA-N 1 0 337.507 5.190 50 0 EKAARO c1ccc(COc2ccc(C3([NH+]4CCCCC4)CCCCC3)cc2)cc1 ZINC000096027192 564144991 /nfs/dbraw/zinc/14/49/91/564144991.db2.gz RIYMNAWXVGLTMQ-UHFFFAOYSA-N 1 0 349.518 5.911 50 0 EKAARO c1ccc(OC2CC[NH+](C3(c4ccccc4)CCCCC3)CC2)cc1 ZINC000096027202 564145013 /nfs/dbraw/zinc/14/50/13/564145013.db2.gz UZVUTTAJDOXNKU-UHFFFAOYSA-N 1 0 335.491 5.389 50 0 EKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CC/C=C(/c1cccs1)c1ccccc1 ZINC000096027821 564145054 /nfs/dbraw/zinc/14/50/54/564145054.db2.gz YZDBBELREPRMOV-VTLNYKCHSA-N 1 0 325.521 5.833 50 0 EKAARO C[C@H]1CCC[C@H](C)[NH+]1CC/C=C(/c1cccs1)c1ccccc1 ZINC000096027822 564145067 /nfs/dbraw/zinc/14/50/67/564145067.db2.gz YZDBBELREPRMOV-XYLSPAALSA-N 1 0 325.521 5.833 50 0 EKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CC/C=C(/c1cccs1)c1ccccc1 ZINC000096027823 564145070 /nfs/dbraw/zinc/14/50/70/564145070.db2.gz YZDBBELREPRMOV-WLWPOCPESA-N 1 0 325.521 5.833 50 0 EKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCC(O)(C1CCCCC1)C1CCCCC1 ZINC000096027834 564145072 /nfs/dbraw/zinc/14/50/72/564145072.db2.gz VKBKFFGANFYBAI-BGYRXZFFSA-N 1 0 349.603 5.921 50 0 EKAARO C[C@H]1CCC[C@H](C)[NH+]1CCCC(O)(C1CCCCC1)C1CCCCC1 ZINC000096027835 564145042 /nfs/dbraw/zinc/14/50/42/564145042.db2.gz VKBKFFGANFYBAI-PMACEKPBSA-N 1 0 349.603 5.921 50 0 EKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCC(O)(C1CCCCC1)C1CCCCC1 ZINC000096027836 564145043 /nfs/dbraw/zinc/14/50/43/564145043.db2.gz VKBKFFGANFYBAI-WOJBJXKFSA-N 1 0 349.603 5.921 50 0 EKAARO C[C@@H](c1cccc(-c2ccc(C(=O)C3CC3)c(F)c2)c1)[NH+]1CCCC1 ZINC000096167134 563980020 /nfs/dbraw/zinc/98/00/20/563980020.db2.gz JTTALYDOYQUUEU-HNNXBMFYSA-N 1 0 337.438 5.242 50 0 EKAARO C[C@H](c1cccc(-c2ccc(C(=O)C3CC3)c(F)c2)c1)[NH+]1CCCC1 ZINC000096167135 563980006 /nfs/dbraw/zinc/98/00/06/563980006.db2.gz JTTALYDOYQUUEU-OAHLLOKOSA-N 1 0 337.438 5.242 50 0 EKAARO CCCC(CCCC[NH+](CC)CC)(c1ccccc1)c1ccccc1 ZINC000096194482 564145979 /nfs/dbraw/zinc/14/59/79/564145979.db2.gz KNUCRCOKNJMPFR-UHFFFAOYSA-N 1 0 337.551 6.285 50 0 EKAARO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000097393492 219020767 /nfs/dbraw/zinc/02/07/67/219020767.db2.gz GENIKSRZPUERKV-QWRGUYRKSA-N 1 0 329.312 5.395 50 0 EKAARO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000097393493 219020865 /nfs/dbraw/zinc/02/08/65/219020865.db2.gz GENIKSRZPUERKV-MNOVXSKESA-N 1 0 329.312 5.395 50 0 EKAARO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F ZINC000097393494 219021055 /nfs/dbraw/zinc/02/10/55/219021055.db2.gz GENIKSRZPUERKV-WDEREUQCSA-N 1 0 329.312 5.395 50 0 EKAARO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000097393495 219020792 /nfs/dbraw/zinc/02/07/92/219020792.db2.gz GENIKSRZPUERKV-GHMZBOCLSA-N 1 0 329.312 5.395 50 0 EKAARO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2)c1 ZINC000097393690 219021374 /nfs/dbraw/zinc/02/13/74/219021374.db2.gz NCNSYFGPUFQPKV-HOTGVXAUSA-N 1 0 335.447 5.269 50 0 EKAARO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)c1 ZINC000097393691 563625871 /nfs/dbraw/zinc/62/58/71/563625871.db2.gz NCNSYFGPUFQPKV-CVEARBPZSA-N 1 0 335.447 5.269 50 0 EKAARO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc3ccccc3c2)c1 ZINC000097393692 563625879 /nfs/dbraw/zinc/62/58/79/563625879.db2.gz NCNSYFGPUFQPKV-JKSUJKDBSA-N 1 0 335.447 5.269 50 0 EKAARO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc3ccccc3c2)c1 ZINC000097393693 219021571 /nfs/dbraw/zinc/02/15/71/219021571.db2.gz NCNSYFGPUFQPKV-HZPDHXFCSA-N 1 0 335.447 5.269 50 0 EKAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3Cl)o2)on1 ZINC000097717028 563981810 /nfs/dbraw/zinc/98/18/10/563981810.db2.gz QZLYDAQHIHSSMQ-KRWDZBQOSA-N 1 0 342.826 5.234 50 0 EKAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3Cl)o2)on1 ZINC000097717031 219050565 /nfs/dbraw/zinc/05/05/65/219050565.db2.gz QZLYDAQHIHSSMQ-QGZVFWFLSA-N 1 0 342.826 5.234 50 0 EKAARO C1[NH2+]C2(CCCCCCCCCCC2)OC12C1CC3CC(C1)CC2C3 ZINC000098174870 563982253 /nfs/dbraw/zinc/98/22/53/563982253.db2.gz YVWGUVBUXQOVQP-UHFFFAOYSA-N 1 0 345.571 5.802 50 0 EKAARO C(\c1ccc2ccccc2n1)=C1\NC2(CCCCC2)Cc2ccccc21 ZINC000100060171 219089594 /nfs/dbraw/zinc/08/95/94/219089594.db2.gz IXWRVINMECFFOO-KQWNVCNZSA-N 1 0 340.470 5.582 50 0 EKAARO Cn1c2ccccc2cc/c1=[NH+]/c1ccc(Oc2ccccc2)cc1 ZINC000100265570 563982479 /nfs/dbraw/zinc/98/24/79/563982479.db2.gz OKMTVOGWOKTADA-FCQUAONHSA-N 1 0 326.399 5.203 50 0 EKAARO Cc1cc2c(cc1C)N1CCC[NH+]=C1N2Cc1ccc(C(C)(C)C)cc1 ZINC000100518395 563993293 /nfs/dbraw/zinc/99/32/93/563993293.db2.gz VADPHRZISWPTFL-UHFFFAOYSA-N 1 0 347.506 5.187 50 0 EKAARO CCCC[N@@H+]1CC[C@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000101359056 563983019 /nfs/dbraw/zinc/98/30/19/563983019.db2.gz LDCAVJYDEQRFHB-LEWJYISDSA-N 1 0 343.898 5.320 50 0 EKAARO CCCC[N@@H+]1CC[C@@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000101359060 564129510 /nfs/dbraw/zinc/12/95/10/564129510.db2.gz LDCAVJYDEQRFHB-NHCUHLMSSA-N 1 0 343.898 5.320 50 0 EKAARO CC(C)(C)[N@@H+]1CC[C@@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000101359070 564129503 /nfs/dbraw/zinc/12/95/03/564129503.db2.gz UIPXASUPMLVUNE-WOJBJXKFSA-N 1 0 343.898 5.319 50 0 EKAARO CC(C)(C)[N@@H+]1CC[C@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000101359074 564032366 /nfs/dbraw/zinc/03/23/66/564032366.db2.gz UIPXASUPMLVUNE-VQTJNVASSA-N 1 0 343.898 5.319 50 0 EKAARO COc1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1Cl ZINC000101435907 204008493 /nfs/dbraw/zinc/00/84/93/204008493.db2.gz YWHNSTMQMUPNKX-UHFFFAOYSA-N 1 0 338.838 5.519 50 0 EKAARO c1ccc2cc(CN3CC[N@@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)ccc2c1 ZINC000101646075 219151077 /nfs/dbraw/zinc/15/10/77/219151077.db2.gz IKAFQONNWBCPOP-DNQXCXABSA-N 1 0 348.534 5.069 50 0 EKAARO CC(C)C1(O)[C@H](C)[C@H](c2ccccc2)[NH+](C)[C@@H](c2ccccc2)[C@H]1C ZINC000102672126 206386890 /nfs/dbraw/zinc/38/68/90/206386890.db2.gz QTCCWCRPTWVSSV-MCEIDBOGSA-N 1 0 337.507 5.074 50 0 EKAARO Cc1ccc([C@@H]2C=C(c3ccccc3)[NH+]=C3Nc4ccccc4N32)cc1 ZINC000103542417 564022749 /nfs/dbraw/zinc/02/27/49/564022749.db2.gz KVGCQKGYHWDGMW-QFIPXVFZSA-N 1 0 337.426 5.379 50 0 EKAARO Cc1ccc([C@H]2C=C(c3ccccc3)[NH+]=C3Nc4ccccc4N32)cc1 ZINC000103542425 564022719 /nfs/dbraw/zinc/02/27/19/564022719.db2.gz KVGCQKGYHWDGMW-JOCHJYFZSA-N 1 0 337.426 5.379 50 0 EKAARO [NH3+]Cc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1 ZINC000104166625 204098464 /nfs/dbraw/zinc/09/84/64/204098464.db2.gz RVGZRKDYXUGTLQ-UHFFFAOYSA-N 1 0 347.039 5.007 50 0 EKAARO CC(=Cc1nc2ccccc2[nH]1)[NH2+]N(c1ccccc1)c1ccccc1 ZINC000108409416 564028222 /nfs/dbraw/zinc/02/82/22/564028222.db2.gz ICKQKHLHDJOLHK-MSUUIHNZSA-N 1 0 340.430 5.267 50 0 EKAARO CCC[NH2+][C@@H](CCc1cccs1)c1ccc(Br)cc1 ZINC000111454277 220155708 /nfs/dbraw/zinc/15/57/08/220155708.db2.gz IPKUPYBRELWXDV-INIZCTEOSA-N 1 0 338.314 5.184 50 0 EKAARO CCC[NH2+][C@H](CCc1cccs1)c1ccc(Br)cc1 ZINC000111454278 220156465 /nfs/dbraw/zinc/15/64/65/220156465.db2.gz IPKUPYBRELWXDV-MRXNPFEDSA-N 1 0 338.314 5.184 50 0 EKAARO Fc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000146476227 564129571 /nfs/dbraw/zinc/12/95/71/564129571.db2.gz BNRXSVRJBGURLH-UHFFFAOYSA-N 1 0 344.433 5.119 50 0 EKAARO c1ccc([C@@H]2[C@@H]3CCCC[C@@]3([NH+]3CCCC3)ON2c2ccccc2)cc1 ZINC000169621023 564083992 /nfs/dbraw/zinc/08/39/92/564083992.db2.gz SQSXAQLOKCEYPF-YTFSRNRJSA-N 1 0 348.490 5.162 50 0 EKAARO c1ccc([C@@H]2[C@H]3CCCC[C@@]3([NH+]3CCCC3)ON2c2ccccc2)cc1 ZINC000169621024 534499071 /nfs/dbraw/zinc/49/90/71/534499071.db2.gz SQSXAQLOKCEYPF-DNVJHFABSA-N 1 0 348.490 5.162 50 0 EKAARO CSc1ccc(C[NH2+][C@H](C)c2nc3ccccc3n2C(C)C)cc1 ZINC000169990837 564104602 /nfs/dbraw/zinc/10/46/02/564104602.db2.gz AIDOIRJHZANUTB-OAHLLOKOSA-N 1 0 339.508 5.190 50 0 EKAARO CSc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C(C)C)cc1 ZINC000169990839 564104596 /nfs/dbraw/zinc/10/45/96/564104596.db2.gz AIDOIRJHZANUTB-HNNXBMFYSA-N 1 0 339.508 5.190 50 0 EKAARO CCO[C@@H](C)c1nc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)cs1 ZINC000170633638 564116424 /nfs/dbraw/zinc/11/64/24/564116424.db2.gz BFVQJOPRDLKUOZ-QFBILLFUSA-N 1 0 344.524 5.195 50 0 EKAARO CCO[C@H](C)c1nc(CN2CCC[C@@H]2c2ccc(C)c(C)c2)cs1 ZINC000170633641 564116401 /nfs/dbraw/zinc/11/64/01/564116401.db2.gz BFVQJOPRDLKUOZ-VQIMIIECSA-N 1 0 344.524 5.195 50 0 EKAARO c1c(C[NH2+]CCc2ccccc2)c2ccccc2n1Cc1ccccc1 ZINC000198662525 564026578 /nfs/dbraw/zinc/02/65/78/564026578.db2.gz HQYJOKYLDHFOLP-UHFFFAOYSA-N 1 0 340.470 5.022 50 0 EKAARO CCN1c2ccccc2SC1=Cc1cc(C)[o+]c(-c2ccccc2)c1 ZINC000208678750 564177670 /nfs/dbraw/zinc/17/76/70/564177670.db2.gz SHPQYDAHYHYPTI-ICFOKQHNSA-N 1 0 346.475 5.567 50 0 EKAARO C[Si](C)(C)[NH+](Cc1ccc(OC(F)(F)F)cc1)[Si](C)(C)C ZINC000219784489 564035419 /nfs/dbraw/zinc/03/54/19/564035419.db2.gz JQCFDBFZRWRSOH-UHFFFAOYSA-N 1 0 335.518 5.057 50 0 EKAARO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000230205602 242249073 /nfs/dbraw/zinc/24/90/73/242249073.db2.gz RUGWQYOAUPOORM-IIDMSEBBSA-N 1 0 349.503 5.413 50 0 EKAARO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000230205606 242249356 /nfs/dbraw/zinc/24/93/56/242249356.db2.gz RUGWQYOAUPOORM-RKVPGOIHSA-N 1 0 349.503 5.413 50 0 EKAARO CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]1C(C)C ZINC000242688217 258000546 /nfs/dbraw/zinc/00/05/46/258000546.db2.gz VKZWRJPZKYCXEQ-LUKWVAJMSA-N 1 0 337.507 5.266 50 0 EKAARO CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1C(C)C ZINC000242688220 258000539 /nfs/dbraw/zinc/00/05/39/258000539.db2.gz VKZWRJPZKYCXEQ-ODAXIHTASA-N 1 0 337.507 5.266 50 0 EKAARO CCCCC1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]1C ZINC000245231365 564168765 /nfs/dbraw/zinc/16/87/65/564168765.db2.gz CILLEQOHMDEEAL-MCEIDBOGSA-N 1 0 337.507 5.266 50 0 EKAARO CCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1C ZINC000245231366 564168788 /nfs/dbraw/zinc/16/87/88/564168788.db2.gz CILLEQOHMDEEAL-NQDIBGKZSA-N 1 0 337.507 5.266 50 0 EKAARO CCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1C ZINC000245231367 564168784 /nfs/dbraw/zinc/16/87/84/564168784.db2.gz CILLEQOHMDEEAL-UDMCKFQASA-N 1 0 337.507 5.266 50 0 EKAARO CCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000245231368 564168779 /nfs/dbraw/zinc/16/87/79/564168779.db2.gz CILLEQOHMDEEAL-XZAVUURCSA-N 1 0 337.507 5.266 50 0 EKAARO Fc1ccc(Cn2cc(C[NH2+]C3CCCCC3)c3ccccc32)cc1 ZINC000247519566 564131966 /nfs/dbraw/zinc/13/19/66/564131966.db2.gz KXXFIKXLOOKNAQ-UHFFFAOYSA-N 1 0 336.454 5.251 50 0 EKAARO Fc1ccccc1Cn1cc(C[NH2+]C2CCCCC2)c2ccccc21 ZINC000247530328 564131971 /nfs/dbraw/zinc/13/19/71/564131971.db2.gz OOVYQGHMEZNCRV-UHFFFAOYSA-N 1 0 336.454 5.251 50 0 EKAARO Fc1ccc(Cn2cc(C[NH2+]Cc3ccccc3)c3ccccc32)cc1 ZINC000247551883 564131960 /nfs/dbraw/zinc/13/19/60/564131960.db2.gz WDWPYJZFBYXFQD-UHFFFAOYSA-N 1 0 344.433 5.119 50 0 EKAARO Fc1ccccc1Cn1cc(C[NH2+]Cc2ccccc2)c2ccccc21 ZINC000247556112 564131990 /nfs/dbraw/zinc/13/19/90/564131990.db2.gz XKLOXPXNWDGUFQ-UHFFFAOYSA-N 1 0 344.433 5.119 50 0 EKAARO CCCCCC[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247903048 564131963 /nfs/dbraw/zinc/13/19/63/564131963.db2.gz IZIVHORPDWZJAE-UHFFFAOYSA-N 1 0 334.507 5.668 50 0 EKAARO Cc1cccc(Cn2cc(C[NH2+]C3CCCCCC3)c3ccccc32)c1 ZINC000247922911 564131974 /nfs/dbraw/zinc/13/19/74/564131974.db2.gz OLCIJIOVIJIIKT-UHFFFAOYSA-N 1 0 346.518 5.810 50 0 EKAARO Cc1cccc(Cn2cc(C[NH2+]Cc3ccccc3)c3ccccc32)c1 ZINC000247946490 564131967 /nfs/dbraw/zinc/13/19/67/564131967.db2.gz WSCREGUUBBXIMW-UHFFFAOYSA-N 1 0 340.470 5.288 50 0 EKAARO Cc1cccc(Cn2cc(C[NH2+]Cc3cccs3)c3ccccc32)c1 ZINC000247951021 564132012 /nfs/dbraw/zinc/13/20/12/564132012.db2.gz YIJMMYUFCNMSEL-UHFFFAOYSA-N 1 0 346.499 5.349 50 0 EKAARO Cc1cccc(Cn2cc(C[NH2+]C3CCCCC3)c3ccccc32)c1 ZINC000247954462 564132000 /nfs/dbraw/zinc/13/20/00/564132000.db2.gz ZNXIKJZGKRUNEN-UHFFFAOYSA-N 1 0 332.491 5.420 50 0 EKAARO CCC[C@H]([NH2+]Cc1nn(C(C)C)nc1-c1ccccc1)c1ccccc1 ZINC000247965250 564132018 /nfs/dbraw/zinc/13/20/18/564132018.db2.gz BHCCSFBCDAWZSE-FQEVSTJZSA-N 1 0 348.494 5.157 50 0 EKAARO CCC[C@@H]([NH2+]Cc1nn(C(C)C)nc1-c1ccccc1)c1ccccc1 ZINC000247965251 564131996 /nfs/dbraw/zinc/13/19/96/564131996.db2.gz BHCCSFBCDAWZSE-HXUWFJFHSA-N 1 0 348.494 5.157 50 0 EKAARO CCC[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000247967657 564034081 /nfs/dbraw/zinc/03/40/81/564034081.db2.gz CBZGHVKQSPGPIN-UHFFFAOYSA-N 1 0 347.289 5.496 50 0 EKAARO CCC[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000247977030 564131999 /nfs/dbraw/zinc/13/19/99/564131999.db2.gz FYRGZPSZMKWSGQ-UHFFFAOYSA-N 1 0 347.289 5.496 50 0 EKAARO CC(C)n1cc(C[NH2+]CCc2ccc(Cl)cc2)c2ccccc21 ZINC000248000109 564131998 /nfs/dbraw/zinc/13/19/98/564131998.db2.gz NNDOTNLRUJXMQM-UHFFFAOYSA-N 1 0 326.871 5.208 50 0 EKAARO CC(C)n1cc(C[NH2+]CCc2c[nH]c3ccccc23)c2ccccc21 ZINC000248005633 564132020 /nfs/dbraw/zinc/13/20/20/564132020.db2.gz PMFIQTPSHFSAJY-UHFFFAOYSA-N 1 0 331.463 5.036 50 0 EKAARO CCCn1cc(C[NH2+]CCc2ccc(Cl)cc2)c2ccccc21 ZINC000248005713 564132001 /nfs/dbraw/zinc/13/20/01/564132001.db2.gz PORWEEZXRSDFBP-UHFFFAOYSA-N 1 0 326.871 5.037 50 0 EKAARO CC(C)[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000248015761 258005471 /nfs/dbraw/zinc/00/54/71/258005471.db2.gz SPEPUMKSRZJWJM-UHFFFAOYSA-N 1 0 347.289 5.494 50 0 EKAARO CC(C)[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000248030297 205332417 /nfs/dbraw/zinc/33/24/17/205332417.db2.gz XMPKQGRSQNRXLB-UHFFFAOYSA-N 1 0 347.289 5.494 50 0 EKAARO Cc1ccc(Cn2cc(C[NH2+]C3CCCCCC3)c3ccccc32)cc1 ZINC000248061367 564132017 /nfs/dbraw/zinc/13/20/17/564132017.db2.gz DABYOCOBWJIOLO-UHFFFAOYSA-N 1 0 346.518 5.810 50 0 EKAARO Cc1ccc(Cn2cc(C[NH2+]Cc3cccs3)c3ccccc32)cc1 ZINC000248063526 564131993 /nfs/dbraw/zinc/13/19/93/564131993.db2.gz DQMXUZRIKOVIKV-UHFFFAOYSA-N 1 0 346.499 5.349 50 0 EKAARO c1c(C[NH2+]C2CCCCCC2)c2ccccc2n1Cc1ccccc1 ZINC000248092895 564132007 /nfs/dbraw/zinc/13/20/07/564132007.db2.gz HLCBOLIJHMQEMW-UHFFFAOYSA-N 1 0 332.491 5.502 50 0 EKAARO CCCCCC[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248100019 564132014 /nfs/dbraw/zinc/13/20/14/564132014.db2.gz NOKRTMLRGJOJDA-UHFFFAOYSA-N 1 0 334.507 5.668 50 0 EKAARO Cc1ccc(Cn2cc(C[NH2+]C3CCCCC3)c3ccccc32)cc1 ZINC000248123214 564132016 /nfs/dbraw/zinc/13/20/16/564132016.db2.gz VYANKGPRMDXLGF-UHFFFAOYSA-N 1 0 332.491 5.420 50 0 EKAARO Cc1ccc(Cn2cc(C[NH2+]Cc3ccccc3)c3ccccc32)cc1 ZINC000248124307 564132010 /nfs/dbraw/zinc/13/20/10/564132010.db2.gz WJZSYNYAHAEWAF-UHFFFAOYSA-N 1 0 340.470 5.288 50 0 EKAARO Cc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000248128700 564132005 /nfs/dbraw/zinc/13/20/05/564132005.db2.gz XSYIPUZTBKEIGE-UHFFFAOYSA-N 1 0 340.470 5.288 50 0 EKAARO C[N@@H+]1[C@@H](c2ccccc2)C[C@](O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000248129327 564132002 /nfs/dbraw/zinc/13/20/02/564132002.db2.gz MQPSFALRBZMFQW-BKFWDETESA-N 1 0 343.470 5.082 50 0 EKAARO c1c(C[NH2+]CCC2=CCCCC2)c2ccccc2n1Cc1ccccc1 ZINC000248135527 564131992 /nfs/dbraw/zinc/13/19/92/564131992.db2.gz ZIRGUMOSSZRFCP-UHFFFAOYSA-N 1 0 344.502 5.670 50 0 EKAARO c1c(C[NH2+]C2CCCCCCC2)c2ccccc2n1Cc1ccccc1 ZINC000248136248 564131995 /nfs/dbraw/zinc/13/19/95/564131995.db2.gz ZTBNENASYMVYAX-UHFFFAOYSA-N 1 0 346.518 5.892 50 0 EKAARO Cc1ccccc1Cn1cc(C[NH2+]Cc2ccccc2)c2ccccc21 ZINC000248147115 564132051 /nfs/dbraw/zinc/13/20/51/564132051.db2.gz IDPKGHDHFBWFDJ-UHFFFAOYSA-N 1 0 340.470 5.288 50 0 EKAARO Cc1ccccc1Cn1cc(C[NH2+]Cc2cccs2)c2ccccc21 ZINC000248155980 564132049 /nfs/dbraw/zinc/13/20/49/564132049.db2.gz LRVVDRFRCDJQGH-UHFFFAOYSA-N 1 0 346.499 5.349 50 0 EKAARO Cc1ccccc1Cn1cc(C[NH2+]C2CCCCC2)c2ccccc21 ZINC000248166328 564132031 /nfs/dbraw/zinc/13/20/31/564132031.db2.gz RPKHKVCSEUMMHI-UHFFFAOYSA-N 1 0 332.491 5.420 50 0 EKAARO Cc1ccccc1Cn1cc(C[NH2+]C2CCCCCC2)c2ccccc21 ZINC000248171817 564132036 /nfs/dbraw/zinc/13/20/36/564132036.db2.gz WPUBRGRQCPUWRJ-UHFFFAOYSA-N 1 0 346.518 5.810 50 0 EKAARO CCCCCC[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248173535 564132023 /nfs/dbraw/zinc/13/20/23/564132023.db2.gz XWMTWBBUQPUHKO-UHFFFAOYSA-N 1 0 334.507 5.668 50 0 EKAARO CCCC1(O)[C@H](C)[C@H](c2ccccc2)[NH+](C)[C@@H](c2ccccc2)[C@H]1C ZINC000248197213 564132053 /nfs/dbraw/zinc/13/20/53/564132053.db2.gz QYKFGQQFZQYMFW-MCEIDBOGSA-N 1 0 337.507 5.218 50 0 EKAARO CCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)[C@@H]1C ZINC000248197214 564132040 /nfs/dbraw/zinc/13/20/40/564132040.db2.gz QYKFGQQFZQYMFW-NQDIBGKZSA-N 1 0 337.507 5.218 50 0 EKAARO CCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H]1C ZINC000248197215 564132024 /nfs/dbraw/zinc/13/20/24/564132024.db2.gz QYKFGQQFZQYMFW-UDMCKFQASA-N 1 0 337.507 5.218 50 0 EKAARO CCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000248197216 564132042 /nfs/dbraw/zinc/13/20/42/564132042.db2.gz QYKFGQQFZQYMFW-XZAVUURCSA-N 1 0 337.507 5.218 50 0 EKAARO CCCC[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000248206888 564132047 /nfs/dbraw/zinc/13/20/47/564132047.db2.gz BLBMBKQCOHWPCP-UHFFFAOYSA-N 1 0 344.861 5.372 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000248207784 536170496 /nfs/dbraw/zinc/17/04/96/536170496.db2.gz BTAMNCCLRZRBIH-AWEZNQCLSA-N 1 0 344.861 5.370 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000248207785 243548262 /nfs/dbraw/zinc/54/82/62/243548262.db2.gz BTAMNCCLRZRBIH-CQSZACIVSA-N 1 0 344.861 5.370 50 0 EKAARO CCCC[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000248207796 564132035 /nfs/dbraw/zinc/13/20/35/564132035.db2.gz BTTUXBXNMOLRLI-UHFFFAOYSA-N 1 0 344.861 5.372 50 0 EKAARO CCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248209808 243549478 /nfs/dbraw/zinc/54/94/78/243549478.db2.gz CRMQIFVFBJVSAO-UHFFFAOYSA-N 1 0 326.871 5.233 50 0 EKAARO CC(C)(C)[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248216102 243548191 /nfs/dbraw/zinc/54/81/91/243548191.db2.gz GIFZJKJNGNEMON-UHFFFAOYSA-N 1 0 326.871 5.231 50 0 EKAARO CC(C)C[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248221929 564132034 /nfs/dbraw/zinc/13/20/34/564132034.db2.gz IBNRJUFDTXDBCH-UHFFFAOYSA-N 1 0 326.871 5.089 50 0 EKAARO CC(C)C[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000248227173 205351004 /nfs/dbraw/zinc/35/10/04/205351004.db2.gz JQZHNWHQYIEFOD-UHFFFAOYSA-N 1 0 344.861 5.228 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248234029 564132027 /nfs/dbraw/zinc/13/20/27/564132027.db2.gz LUQKGCYOWVSAPX-HNNXBMFYSA-N 1 0 326.871 5.231 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248234032 564132026 /nfs/dbraw/zinc/13/20/26/564132026.db2.gz LUQKGCYOWVSAPX-OAHLLOKOSA-N 1 0 326.871 5.231 50 0 EKAARO CCCCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248237306 535076439 /nfs/dbraw/zinc/07/64/39/535076439.db2.gz COONHSMNKUUBHV-UHFFFAOYSA-N 1 0 340.898 5.623 50 0 EKAARO CCCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248239753 564132054 /nfs/dbraw/zinc/13/20/54/564132054.db2.gz NZXHCYFSKJLMTD-UHFFFAOYSA-N 1 0 326.871 5.233 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248241312 535360596 /nfs/dbraw/zinc/36/05/96/535360596.db2.gz FBVOTLUAQDORPW-UHFFFAOYSA-N 1 0 340.898 5.621 50 0 EKAARO CC[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000248241339 564132055 /nfs/dbraw/zinc/13/20/55/564132055.db2.gz HHODVXJFPZKYQY-UHFFFAOYSA-N 1 0 333.262 5.106 50 0 EKAARO CC(C)(C)[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000248242729 564132044 /nfs/dbraw/zinc/13/20/44/564132044.db2.gz PETPDGQKKBEMSS-UHFFFAOYSA-N 1 0 344.861 5.370 50 0 EKAARO CC(C)CC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248245596 564132032 /nfs/dbraw/zinc/13/20/32/564132032.db2.gz GVXKHDTVQGDDOC-UHFFFAOYSA-N 1 0 340.898 5.479 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248248759 564132039 /nfs/dbraw/zinc/13/20/39/564132039.db2.gz RMQYEWVEGKFNAG-HNNXBMFYSA-N 1 0 326.871 5.231 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248248760 564132028 /nfs/dbraw/zinc/13/20/28/564132028.db2.gz RMQYEWVEGKFNAG-OAHLLOKOSA-N 1 0 326.871 5.231 50 0 EKAARO CC[C@H](C)[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000248248766 564132046 /nfs/dbraw/zinc/13/20/46/564132046.db2.gz RMXIWJHCWQDLKD-AWEZNQCLSA-N 1 0 344.861 5.370 50 0 EKAARO CC[C@@H](C)[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000248248767 564132030 /nfs/dbraw/zinc/13/20/30/564132030.db2.gz RMXIWJHCWQDLKD-CQSZACIVSA-N 1 0 344.861 5.370 50 0 EKAARO CCCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248249236 564132037 /nfs/dbraw/zinc/13/20/37/564132037.db2.gz IIASAKJUWPARAG-UHFFFAOYSA-N 1 0 340.898 5.623 50 0 EKAARO CC(C)(C)[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248250357 205354583 /nfs/dbraw/zinc/35/45/83/205354583.db2.gz RZXWIZNGQMZPDJ-UHFFFAOYSA-N 1 0 326.871 5.231 50 0 EKAARO CC(C)(C)[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000248250556 205353515 /nfs/dbraw/zinc/35/35/15/205353515.db2.gz SEKAWLTYDUYBAM-UHFFFAOYSA-N 1 0 344.861 5.370 50 0 EKAARO CC(C)C[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000248250934 205354006 /nfs/dbraw/zinc/35/40/06/205354006.db2.gz SFWYULRMFHVYBN-UHFFFAOYSA-N 1 0 344.861 5.228 50 0 EKAARO CC(C)C[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248254510 535169855 /nfs/dbraw/zinc/16/98/55/535169855.db2.gz UEKHRJDSDNESHD-UHFFFAOYSA-N 1 0 326.871 5.089 50 0 EKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248260579 564132064 /nfs/dbraw/zinc/13/20/64/564132064.db2.gz MHUUQSJYLKMHPS-UHFFFAOYSA-N 1 0 348.534 5.994 50 0 EKAARO CCC(C)(C)[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248268367 535360568 /nfs/dbraw/zinc/36/05/68/535360568.db2.gz PEQMOKPNUVFECR-UHFFFAOYSA-N 1 0 340.898 5.621 50 0 EKAARO CCCCCC[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000248270326 534996805 /nfs/dbraw/zinc/99/68/05/534996805.db2.gz PXLWHSXLSXXTOJ-UHFFFAOYSA-N 1 0 338.470 5.499 50 0 EKAARO CC[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000248277512 564132056 /nfs/dbraw/zinc/13/20/56/564132056.db2.gz ZEVBOOOJEVBJCI-UHFFFAOYSA-N 1 0 333.262 5.106 50 0 EKAARO CCCCCC[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000248290038 564132065 /nfs/dbraw/zinc/13/20/65/564132065.db2.gz RYSPMVLJUQYTGL-UHFFFAOYSA-N 1 0 338.470 5.499 50 0 EKAARO CC(C)CC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248292527 564132068 /nfs/dbraw/zinc/13/20/68/564132068.db2.gz UWFZIZQUGVLEKU-UHFFFAOYSA-N 1 0 340.898 5.479 50 0 EKAARO Cn1c2ccccc2ccc1=[NH+]c1ccc(Oc2ccccc2)cc1 ZINC000252671841 564124839 /nfs/dbraw/zinc/12/48/39/564124839.db2.gz OKMTVOGWOKTADA-UHFFFAOYSA-N 1 0 326.399 5.203 50 0 EKAARO Clc1ccc(Cn2cc(C[NH2+]C3CC3)c3ccccc32)cc1Cl ZINC000253488379 244002721 /nfs/dbraw/zinc/00/27/21/244002721.db2.gz AKXMWPKNORIQHA-UHFFFAOYSA-N 1 0 345.273 5.248 50 0 EKAARO Clc1cccc(Cn2cc(C[NH2+]C3CCCC3)c3ccccc32)c1 ZINC000253488978 244001948 /nfs/dbraw/zinc/00/19/48/244001948.db2.gz CLYWLBZRYJXDJG-UHFFFAOYSA-N 1 0 338.882 5.375 50 0 EKAARO Clc1ccc(Cn2cc(C[NH2+]C3CCCC3)c3ccccc32)cc1 ZINC000253491850 244002292 /nfs/dbraw/zinc/00/22/92/244002292.db2.gz NZQMNHPOKPQZDF-UHFFFAOYSA-N 1 0 338.882 5.375 50 0 EKAARO Clc1cccc(Cl)c1Cn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000253493611 244003697 /nfs/dbraw/zinc/00/36/97/244003697.db2.gz UTYAEDVTGWPARJ-UHFFFAOYSA-N 1 0 345.273 5.248 50 0 EKAARO CC(C)[NH2+]C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501731 564132849 /nfs/dbraw/zinc/13/28/49/564132849.db2.gz HRROJQJBNRGRQT-OYIIHGHGSA-N 1 0 347.587 5.148 50 0 EKAARO CC(C)[NH2+]C[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501733 564132836 /nfs/dbraw/zinc/13/28/36/564132836.db2.gz HRROJQJBNRGRQT-QTPSSFORSA-N 1 0 347.587 5.148 50 0 EKAARO CC(C)[NH2+]C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253531141 564133005 /nfs/dbraw/zinc/13/30/05/564133005.db2.gz HRROJQJBNRGRQT-GYLYOQPXSA-N 1 0 347.587 5.148 50 0 EKAARO CC(C)[NH2+]C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253531142 564132999 /nfs/dbraw/zinc/13/29/99/564132999.db2.gz HRROJQJBNRGRQT-PBJBAIGCSA-N 1 0 347.587 5.148 50 0 EKAARO CC(C)[NH2+]C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253531143 564133002 /nfs/dbraw/zinc/13/30/02/564133002.db2.gz HRROJQJBNRGRQT-SQXBVBPSSA-N 1 0 347.587 5.148 50 0 EKAARO C1CCC([C@H]2C[C@H](C3CCCCC3)[NH2+][C@H](C3CCCCC3)C2)CC1 ZINC000257355600 564132519 /nfs/dbraw/zinc/13/25/19/564132519.db2.gz BOWYTYOCTVPDHY-NUNAXRQHSA-N 1 0 331.588 6.464 50 0 EKAARO O=[N+]1c2ccc3ccccc3c2C=C/C1=C1/C=Cc2ccccc2N1O ZINC000334157361 258004592 /nfs/dbraw/zinc/00/45/92/258004592.db2.gz MUNRMNZQCNNVEA-QURGRASLSA-N 1 0 339.374 5.411 50 0 EKAARO O=[N+](Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000368032720 564000058 /nfs/dbraw/zinc/00/00/58/564000058.db2.gz IAKAQYOWFCHKRW-UHFFFAOYSA-N 1 0 335.227 5.162 50 0 EKAARO CC(C)Cc1ccc(C[NH2+][C@H](C)c2ccc(-c3cncnc3)cc2)cc1 ZINC000408513144 563862205 /nfs/dbraw/zinc/86/22/05/563862205.db2.gz PVFKRMMHSXZPAY-GOSISDBHSA-N 1 0 345.490 5.193 50 0 EKAARO CC(C)Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3cncnc3)cc2)cc1 ZINC000408513145 563862184 /nfs/dbraw/zinc/86/21/84/563862184.db2.gz PVFKRMMHSXZPAY-SFHVURJKSA-N 1 0 345.490 5.193 50 0 EKAARO CC(C)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 ZINC000584904363 564080454 /nfs/dbraw/zinc/08/04/54/564080454.db2.gz JBQUZOGCDRDURA-DHIUTWEWSA-N 1 0 340.555 5.039 50 0 EKAARO CC(C)c1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000584904364 564080450 /nfs/dbraw/zinc/08/04/50/564080450.db2.gz JBQUZOGCDRDURA-GOTSBHOMSA-N 1 0 340.555 5.039 50 0 EKAARO CC(C)c1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000584904365 564080439 /nfs/dbraw/zinc/08/04/39/564080439.db2.gz JBQUZOGCDRDURA-XZOQPEGZSA-N 1 0 340.555 5.039 50 0 EKAARO CC[C@@H](Cc1ccccc1Br)[NH2+][C@H](C)c1ccccc1 ZINC000670420458 564152487 /nfs/dbraw/zinc/15/24/87/564152487.db2.gz LDDLOTJIPGLUDU-PBHICJAKSA-N 1 0 332.285 5.121 50 0 EKAARO CC[C@H](Cc1ccccc1Br)[NH2+][C@H](C)c1ccccc1 ZINC000670420459 564152535 /nfs/dbraw/zinc/15/25/35/564152535.db2.gz LDDLOTJIPGLUDU-RHSMWYFYSA-N 1 0 332.285 5.121 50 0 EKAARO CC[C@H](Cc1ccccc1Br)[NH2+][C@@H](C)c1ccccc1 ZINC000670420460 564152540 /nfs/dbraw/zinc/15/25/40/564152540.db2.gz LDDLOTJIPGLUDU-WMLDXEAASA-N 1 0 332.285 5.121 50 0 EKAARO CC[C@@H](Cc1ccccc1Br)[NH2+][C@@H](C)c1ccccc1 ZINC000670420461 564152527 /nfs/dbraw/zinc/15/25/27/564152527.db2.gz LDDLOTJIPGLUDU-YOEHRIQHSA-N 1 0 332.285 5.121 50 0 EKAARO CC[n+]1c(C=C2C=C([NH+]3CCCCC3)CCC2)sc2ccccc21 ZINC000685944409 564051404 /nfs/dbraw/zinc/05/14/04/564051404.db2.gz IUZGKPYHGRAHKH-UHFFFAOYSA-N 1 0 339.528 5.208 50 0 EKAARO CCCC[n+]1c(C)c2ccc(/C=C/c3ccc(OC)cc3)ccc-2c1C ZINC000685944452 564051384 /nfs/dbraw/zinc/05/13/84/564051384.db2.gz NWBJNRCHYFJUQR-BQYQJAHWSA-N 1 0 346.494 5.675 50 0 EKAARO