smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCc1[nH+]ccn1C ZINC000097098945 398224251 /nfs/dbraw/zinc/22/42/51/398224251.db2.gz KSDLLYUGTCHCJN-ZIAGYGMSSA-N 2 2 247.386 2.545 50 0 BFAALP [NH3+]C[C@H](c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000083426017 398281776 /nfs/dbraw/zinc/28/17/76/398281776.db2.gz RWUVPSINUTZQTN-CQSZACIVSA-N 2 2 236.334 2.702 50 0 BFAALP C[N@H+](C/C=C/c1ccccc1)C1CC[NH+](C)CC1 ZINC000000183260 343268878 /nfs/dbraw/zinc/26/88/78/343268878.db2.gz UWYZGXVJEBEZOA-RMKNXTFCSA-N 2 2 244.382 2.726 50 0 BFAALP C[N@@H+](C/C=C/c1ccccc1)C1CC[NH+](C)CC1 ZINC000000183260 343268880 /nfs/dbraw/zinc/26/88/80/343268880.db2.gz UWYZGXVJEBEZOA-RMKNXTFCSA-N 2 2 244.382 2.726 50 0 BFAALP Cc1cccc(NCc2[nH+]ccn2CC(C)C)[nH+]1 ZINC000157703201 179151377 /nfs/dbraw/zinc/15/13/77/179151377.db2.gz POTYSGRSHDKQMD-UHFFFAOYSA-N 2 2 244.342 2.855 50 0 BFAALP COc1ccc([C@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000032522361 188284382 /nfs/dbraw/zinc/28/43/82/188284382.db2.gz CPASXXYSPZFNNT-HNNXBMFYSA-N 2 2 248.370 2.571 50 0 BFAALP [NH3+]CC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000019091253 181364328 /nfs/dbraw/zinc/36/43/28/181364328.db2.gz AZNKXRKKYXSHKU-UHFFFAOYSA-N 2 2 229.327 2.795 50 0 BFAALP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC3)C2)co1 ZINC000216433653 183341594 /nfs/dbraw/zinc/34/15/94/183341594.db2.gz OSLPSHHGQAGTSN-CQSZACIVSA-N 2 2 248.370 2.587 50 0 BFAALP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC3)C2)co1 ZINC000216433653 183341597 /nfs/dbraw/zinc/34/15/97/183341597.db2.gz OSLPSHHGQAGTSN-CQSZACIVSA-N 2 2 248.370 2.587 50 0 BFAALP CC[C@@H](C[NH3+])n1c[nH+]c2cc(C)c(C)cc21 ZINC000043540933 384282168 /nfs/dbraw/zinc/28/21/68/384282168.db2.gz VYTKFOWYAXCVOL-NSHDSACASA-N 2 2 217.316 2.563 50 0 BFAALP CC[N@H+](C[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000019808868 384541912 /nfs/dbraw/zinc/54/19/12/384541912.db2.gz YNCHCKQOQFLUGF-CYBMUJFWSA-N 2 2 224.392 2.783 50 0 BFAALP CC[N@@H+](C[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000019808868 384541916 /nfs/dbraw/zinc/54/19/16/384541916.db2.gz YNCHCKQOQFLUGF-CYBMUJFWSA-N 2 2 224.392 2.783 50 0 BFAALP Cc1ccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000032445532 385162121 /nfs/dbraw/zinc/16/21/21/385162121.db2.gz RJRUFVDQHGNTAA-OAHLLOKOSA-N 2 2 232.371 2.727 50 0 BFAALP C[C@@H]1CCCC[N@@H+]1CCCNc1cccc[nH+]1 ZINC000020563552 176071460 /nfs/dbraw/zinc/07/14/60/176071460.db2.gz POPCONBJMDKGOL-CYBMUJFWSA-N 2 2 233.359 2.758 50 0 BFAALP C[C@@H]1CCCC[N@H+]1CCCNc1cccc[nH+]1 ZINC000020563552 176071462 /nfs/dbraw/zinc/07/14/62/176071462.db2.gz POPCONBJMDKGOL-CYBMUJFWSA-N 2 2 233.359 2.758 50 0 BFAALP C[C@H](c1ccc(-c2ccc(N)[nH+]c2)cc1)[NH+](C)C ZINC000032576463 177031876 /nfs/dbraw/zinc/03/18/76/177031876.db2.gz GZTMSUWFLGRUQP-LLVKDONJSA-N 2 2 241.338 2.953 50 0 BFAALP CCC(C)(C)C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000084721051 488085429 /nfs/dbraw/zinc/08/54/29/488085429.db2.gz UJFHQRWCGKZOQZ-GFCCVEGCSA-N 2 2 235.375 2.786 50 0 BFAALP CC1=C[C@@H]2C[C@H]([NH2+]CCn3cc[nH+]c3)C[C@H](C1)C2 ZINC000888099148 583181157 /nfs/dbraw/zinc/18/11/57/583181157.db2.gz WLQVZHWWTMWVSL-ZNMIVQPWSA-N 2 2 245.370 2.608 50 0 BFAALP CC(C)=CCC[C@@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000820538522 968475474 /nfs/dbraw/zinc/47/54/74/968475474.db2.gz ATZQPAIGSOFUOQ-CQSZACIVSA-N 2 2 235.375 2.950 50 0 BFAALP CC(C)=CCC[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000820538522 968475480 /nfs/dbraw/zinc/47/54/80/968475480.db2.gz ATZQPAIGSOFUOQ-CQSZACIVSA-N 2 2 235.375 2.950 50 0 BFAALP Cc1ccc2[nH]c([C@H]3CCC[NH2+]C3)[nH+]c2c1C ZINC000019737158 342955737 /nfs/dbraw/zinc/95/57/37/342955737.db2.gz FWXGQVNJZSMBEX-NSHDSACASA-N 2 2 229.327 2.647 50 0 BFAALP COC(=[NH2+])CCCCCCC(=[NH2+])OC ZINC000012358642 187250574 /nfs/dbraw/zinc/25/05/74/187250574.db2.gz FRTGEIHSCHXMTI-UHFFFAOYSA-N 2 2 200.282 2.574 50 0 in-vitro BFAALP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCCCC1)CCC2 ZINC000095402070 360336948 /nfs/dbraw/zinc/33/69/48/360336948.db2.gz LXTGMMPOLOEHJH-CYBMUJFWSA-N 2 2 247.386 2.991 50 0 BFAALP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]CCC(C)(C)C)C2 ZINC000170087111 361390387 /nfs/dbraw/zinc/39/03/87/361390387.db2.gz LWGONSIWQPHCDO-GFCCVEGCSA-N 2 2 235.375 2.532 50 0 BFAALP [NH3+]C1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000020533748 181342333 /nfs/dbraw/zinc/34/23/33/181342333.db2.gz ASNVOUGGOKEIKD-UHFFFAOYSA-N 2 2 215.300 2.548 50 0 BFAALP CCc1[nH+]c2cc(F)ccc2n1C1CC[NH2+]CC1 ZINC000166592705 368396557 /nfs/dbraw/zinc/39/65/57/368396557.db2.gz WZRGOCSQWATBBT-UHFFFAOYSA-N 2 2 247.317 2.662 50 0 BFAALP c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000000393557 183396170 /nfs/dbraw/zinc/39/61/70/183396170.db2.gz MJCJSVVXJWKCAQ-UHFFFAOYSA-N 2 2 244.382 2.747 50 0 BFAALP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccsc1)CCC2 ZINC000084618516 183473799 /nfs/dbraw/zinc/47/37/99/183473799.db2.gz PAZCNABEWJDGIS-GFCCVEGCSA-N 2 2 247.367 2.612 50 0 BFAALP CCC[C@@H](C)c1[nH+]ccn1CC[NH+]1CCCC1 ZINC000071774599 169375761 /nfs/dbraw/zinc/37/57/61/169375761.db2.gz MMEOBAPWXXOEFX-CYBMUJFWSA-N 2 2 235.375 2.883 50 0 BFAALP [NH3+]Cc1ccc(-n2cc[nH+]c2-c2ccccc2)cc1 ZINC000012395421 384317909 /nfs/dbraw/zinc/31/79/09/384317909.db2.gz KEUMKOMTMPIBOO-UHFFFAOYSA-N 2 2 249.317 2.998 50 0 BFAALP CC1=CC2=C(C)[NH+](C)[C@@]3(C)CC[C@@]2(C3)[N@@H+]1C ZINC000078582809 384452011 /nfs/dbraw/zinc/45/20/11/384452011.db2.gz OPQPFEQHBYUFBM-KBPBESRZSA-N 2 2 218.344 2.736 50 0 biogenic BFAALP CC1=CC2=C(C)[NH+](C)[C@@]3(C)CC[C@@]2(C3)[N@H+]1C ZINC000078582809 384452014 /nfs/dbraw/zinc/45/20/14/384452014.db2.gz OPQPFEQHBYUFBM-KBPBESRZSA-N 2 2 218.344 2.736 50 0 biogenic BFAALP CC1=CC2=C(C)[N@H+](C)[C@@]3(C)CC[C@@]2(C3)[NH+]1C ZINC000078582809 384452018 /nfs/dbraw/zinc/45/20/18/384452018.db2.gz OPQPFEQHBYUFBM-KBPBESRZSA-N 2 2 218.344 2.736 50 0 biogenic BFAALP CC1=CC2=C(C)[N@@H+](C)[C@@]3(C)CC[C@@]2(C3)[NH+]1C ZINC000078582809 384452023 /nfs/dbraw/zinc/45/20/23/384452023.db2.gz OPQPFEQHBYUFBM-KBPBESRZSA-N 2 2 218.344 2.736 50 0 biogenic BFAALP Cc1c[nH+]ccc1OC1CC[NH+](CC(C)C)CC1 ZINC000225587622 386206458 /nfs/dbraw/zinc/20/64/58/386206458.db2.gz XHKBSCWWHVBMST-UHFFFAOYSA-N 2 2 248.370 2.889 50 0 BFAALP c1ccc2c(c1)cccc2C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000052060857 386875588 /nfs/dbraw/zinc/87/55/88/386875588.db2.gz IFAAZGLVJDLQDT-OAHLLOKOSA-N 2 2 240.350 2.681 50 0 BFAALP CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C1 ZINC000299754091 171039789 /nfs/dbraw/zinc/03/97/89/171039789.db2.gz FQWBUBDKNHTEOY-MGPQQGTHSA-N 2 2 247.386 2.929 50 0 BFAALP C[C@H]1CCC[C@@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000004022668 177120469 /nfs/dbraw/zinc/12/04/69/177120469.db2.gz JOJOOBJTCMOJGP-GXTWGEPZSA-N 2 2 224.392 2.591 50 0 BFAALP C[C@H]1CCC[C@@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000004022668 177120470 /nfs/dbraw/zinc/12/04/70/177120470.db2.gz JOJOOBJTCMOJGP-GXTWGEPZSA-N 2 2 224.392 2.591 50 0 BFAALP CCn1c[nH+]cc1C[N@H+](C)Cc1ccc(C)s1 ZINC000244626508 523572562 /nfs/dbraw/zinc/57/25/62/523572562.db2.gz FNBCBINFSVGJAO-UHFFFAOYSA-N 2 2 249.383 2.905 50 0 BFAALP CCn1c[nH+]cc1C[N@@H+](C)Cc1ccc(C)s1 ZINC000244626508 523572568 /nfs/dbraw/zinc/57/25/68/523572568.db2.gz FNBCBINFSVGJAO-UHFFFAOYSA-N 2 2 249.383 2.905 50 0 BFAALP CC(C)=CCC[C@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000820538511 968477119 /nfs/dbraw/zinc/47/71/19/968477119.db2.gz ATZQPAIGSOFUOQ-AWEZNQCLSA-N 2 2 235.375 2.950 50 0 BFAALP CC(C)=CCC[C@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000820538511 968477123 /nfs/dbraw/zinc/47/71/23/968477123.db2.gz ATZQPAIGSOFUOQ-AWEZNQCLSA-N 2 2 235.375 2.950 50 0 BFAALP Cc1ccc2[nH]c([C@@H]3CCC[NH2+]C3)[nH+]c2c1C ZINC000019737157 342955854 /nfs/dbraw/zinc/95/58/54/342955854.db2.gz FWXGQVNJZSMBEX-LLVKDONJSA-N 2 2 229.327 2.647 50 0 BFAALP CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC000020486661 342987099 /nfs/dbraw/zinc/98/70/99/342987099.db2.gz RWSFSWBSRODXRJ-HNNXBMFYSA-N 2 2 232.371 2.651 50 0 BFAALP CC[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC000020486661 342987101 /nfs/dbraw/zinc/98/71/01/342987101.db2.gz RWSFSWBSRODXRJ-HNNXBMFYSA-N 2 2 232.371 2.651 50 0 BFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)s1 ZINC000022936121 343057162 /nfs/dbraw/zinc/05/71/62/343057162.db2.gz IQROTUPDKRCCDP-GFCCVEGCSA-N 2 2 238.400 2.630 50 0 BFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)s1 ZINC000022936121 343057164 /nfs/dbraw/zinc/05/71/64/343057164.db2.gz IQROTUPDKRCCDP-GFCCVEGCSA-N 2 2 238.400 2.630 50 0 BFAALP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000032497019 343236188 /nfs/dbraw/zinc/23/61/88/343236188.db2.gz DTKJQBJNCCDZKO-LBPRGKRZSA-N 2 2 226.751 2.682 50 0 BFAALP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071973 345615370 /nfs/dbraw/zinc/61/53/70/345615370.db2.gz ICZBVAWBUJHOSI-LBPRGKRZSA-N 2 2 245.326 2.691 50 0 BFAALP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071973 345615373 /nfs/dbraw/zinc/61/53/73/345615373.db2.gz ICZBVAWBUJHOSI-LBPRGKRZSA-N 2 2 245.326 2.691 50 0 BFAALP CC[C@@H](C)C[N@@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000685943390 537932593 /nfs/dbraw/zinc/93/25/93/537932593.db2.gz LMKKDXDCGZNBTN-LLVKDONJSA-N 2 2 233.359 2.693 50 0 BFAALP CC[C@@H](C)C[N@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000685943390 537932599 /nfs/dbraw/zinc/93/25/99/537932599.db2.gz LMKKDXDCGZNBTN-LLVKDONJSA-N 2 2 233.359 2.693 50 0 BFAALP c1[nH]cc(CC[NH2+]CCCC2CCCCC2)[nH+]1 ZINC000034483319 346295779 /nfs/dbraw/zinc/29/57/79/346295779.db2.gz MSKPDPQXKBBKQM-UHFFFAOYSA-N 2 2 235.375 2.902 50 0 BFAALP c1[nH]c(CC[NH2+]CCCC2CCCCC2)c[nH+]1 ZINC000034483319 346295781 /nfs/dbraw/zinc/29/57/81/346295781.db2.gz MSKPDPQXKBBKQM-UHFFFAOYSA-N 2 2 235.375 2.902 50 0 BFAALP CSc1cccc(C[N@H+](CC[NH3+])C(C)C)c1 ZINC000067947556 383963058 /nfs/dbraw/zinc/96/30/58/383963058.db2.gz MFNJTBZPXGHDRR-UHFFFAOYSA-N 2 2 238.400 2.578 50 0 BFAALP CSc1cccc(C[N@@H+](CC[NH3+])C(C)C)c1 ZINC000067947556 383963067 /nfs/dbraw/zinc/96/30/67/383963067.db2.gz MFNJTBZPXGHDRR-UHFFFAOYSA-N 2 2 238.400 2.578 50 0 BFAALP C[NH2+][C@@H](c1ccccc1)[C@@H]([NH2+]C)c1ccccc1 ZINC000038202286 384076923 /nfs/dbraw/zinc/07/69/23/384076923.db2.gz BTHYVQUNQHWNLS-HOTGVXAUSA-N 2 2 240.350 2.908 50 0 BFAALP [NH3+][C@@H]1CCCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000082098938 384647384 /nfs/dbraw/zinc/64/73/84/384647384.db2.gz JGAYMITXXGMPHD-CYBMUJFWSA-N 2 2 244.338 2.746 50 0 BFAALP [NH3+][C@@H]1CCCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000082098938 384647392 /nfs/dbraw/zinc/64/73/92/384647392.db2.gz JGAYMITXXGMPHD-CYBMUJFWSA-N 2 2 244.338 2.746 50 0 BFAALP CC/C=C(/C[N@@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000426707330 387586898 /nfs/dbraw/zinc/58/68/98/387586898.db2.gz BJEJWLCVBRTTHL-APSNUPSMSA-N 2 2 244.382 2.775 50 0 BFAALP CC/C=C(/C[N@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000426707330 387586903 /nfs/dbraw/zinc/58/69/03/387586903.db2.gz BJEJWLCVBRTTHL-APSNUPSMSA-N 2 2 244.382 2.775 50 0 BFAALP c1cn(-c2ccccc2C[NH2+]C2CCCC2)c[nH+]1 ZINC000067250292 490082463 /nfs/dbraw/zinc/08/24/63/490082463.db2.gz YLHNOSJDYVOIOH-UHFFFAOYSA-N 2 2 241.338 2.905 50 0 BFAALP CC[NH+](CC)CCNc1[nH+]ccc2ccccc21 ZINC000008575952 342800670 /nfs/dbraw/zinc/80/06/70/342800670.db2.gz NRYACPNBQVMNGB-UHFFFAOYSA-N 2 2 243.354 2.989 50 0 BFAALP CC(C)n1c2ccccc2[nH+]c1CCC[NH3+] ZINC000012484724 342852690 /nfs/dbraw/zinc/85/26/90/342852690.db2.gz FCCQEQFJYHDCAY-UHFFFAOYSA-N 2 2 217.316 2.509 50 0 BFAALP C(C[NH+]1CCCCC1)[NH2+]C1CCCCCC1 ZINC000019637497 342952914 /nfs/dbraw/zinc/95/29/14/342952914.db2.gz FGLHSPBRORPHQZ-UHFFFAOYSA-N 2 2 224.392 2.785 50 0 BFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC000022935921 343057010 /nfs/dbraw/zinc/05/70/10/343057010.db2.gz ABSIFLHDOZCSOW-OAHLLOKOSA-N 2 2 232.371 2.569 50 0 BFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC000022935921 343057012 /nfs/dbraw/zinc/05/70/12/343057012.db2.gz ABSIFLHDOZCSOW-OAHLLOKOSA-N 2 2 232.371 2.569 50 0 BFAALP Clc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000035360434 343295358 /nfs/dbraw/zinc/29/53/58/343295358.db2.gz UGRISRKTUDHSPH-UHFFFAOYSA-N 2 2 249.745 2.716 50 0 BFAALP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)[nH]1 ZINC000092073820 345615479 /nfs/dbraw/zinc/61/54/79/345615479.db2.gz CMXZQHQWWITCTD-GFCCVEGCSA-N 2 2 247.367 2.851 50 0 BFAALP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccsc3)C2)[nH]1 ZINC000092073820 345615480 /nfs/dbraw/zinc/61/54/80/345615480.db2.gz CMXZQHQWWITCTD-GFCCVEGCSA-N 2 2 247.367 2.851 50 0 BFAALP c1c[nH+]c(CCn2cc[nH+]c2[C@@H]2CC=CCC2)[nH]1 ZINC000067714420 188304485 /nfs/dbraw/zinc/30/44/85/188304485.db2.gz ZCWVYWCTTFSXHH-GFCCVEGCSA-N 2 2 242.326 2.673 50 0 BFAALP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCCCC1)CCC2 ZINC000095402069 360337094 /nfs/dbraw/zinc/33/70/94/360337094.db2.gz LXTGMMPOLOEHJH-ZDUSSCGKSA-N 2 2 247.386 2.991 50 0 BFAALP [NH3+][C@H]1CCCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000082098934 384647758 /nfs/dbraw/zinc/64/77/58/384647758.db2.gz JGAYMITXXGMPHD-ZDUSSCGKSA-N 2 2 244.338 2.746 50 0 BFAALP [NH3+][C@H]1CCCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000082098934 384647763 /nfs/dbraw/zinc/64/77/63/384647763.db2.gz JGAYMITXXGMPHD-ZDUSSCGKSA-N 2 2 244.338 2.746 50 0 BFAALP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccsc2)c[nH+]1 ZINC000188418386 384950134 /nfs/dbraw/zinc/95/01/34/384950134.db2.gz KRLZJSKLIKBEGL-ZDUSSCGKSA-N 2 2 247.367 2.609 50 0 BFAALP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccsc2)c[nH+]1 ZINC000188418386 384950140 /nfs/dbraw/zinc/95/01/40/384950140.db2.gz KRLZJSKLIKBEGL-ZDUSSCGKSA-N 2 2 247.367 2.609 50 0 BFAALP CC(C)(C)CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188421003 384950954 /nfs/dbraw/zinc/95/09/54/384950954.db2.gz GZNAZHZXSGFMRT-ZDUSSCGKSA-N 2 2 235.375 2.784 50 0 BFAALP CC(C)(C)CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188421003 384950963 /nfs/dbraw/zinc/95/09/63/384950963.db2.gz GZNAZHZXSGFMRT-ZDUSSCGKSA-N 2 2 235.375 2.784 50 0 BFAALP [NH3+][C@H]1CCC[C@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000070501257 387068386 /nfs/dbraw/zinc/06/83/86/387068386.db2.gz GJWFOQIKVTZEPM-UWVGGRQHSA-N 2 2 215.300 2.548 50 0 BFAALP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000089948233 171040833 /nfs/dbraw/zinc/04/08/33/171040833.db2.gz FQWBUBDKNHTEOY-HZSPNIEDSA-N 2 2 247.386 2.929 50 0 BFAALP C[NH2+]CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000057362437 173348666 /nfs/dbraw/zinc/34/86/66/173348666.db2.gz QWIRWAVBFKNERC-UHFFFAOYSA-N 2 2 247.169 2.693 50 0 BFAALP C[C@@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000041582426 176088763 /nfs/dbraw/zinc/08/87/63/176088763.db2.gz LTYYIVCKEHVRHA-ZIAGYGMSSA-N 2 2 224.392 2.641 50 0 BFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC000022935932 343057111 /nfs/dbraw/zinc/05/71/11/343057111.db2.gz YDJFELFKNBKIFL-OAHLLOKOSA-N 2 2 232.371 2.569 50 0 BFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC000022935932 343057113 /nfs/dbraw/zinc/05/71/13/343057113.db2.gz YDJFELFKNBKIFL-OAHLLOKOSA-N 2 2 232.371 2.569 50 0 BFAALP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000012359757 180102626 /nfs/dbraw/zinc/10/26/26/180102626.db2.gz BJGOIXDGNKKASK-FUNVUKJBSA-N 2 2 241.338 2.800 50 0 BFAALP Cc1[nH+]c2ccccc2n1CC[NH+]1CCCCC1 ZINC000000183744 180104411 /nfs/dbraw/zinc/10/44/11/180104411.db2.gz QCVNIPBRUFFPEG-UHFFFAOYSA-N 2 2 243.354 2.831 50 0 BFAALP Cc1ccc(C)c(-c2[nH+]ccn2[C@@H]2CC[NH2+]C2)c1 ZINC000072473395 384223754 /nfs/dbraw/zinc/22/37/54/384223754.db2.gz NXOOGINMLAAUSW-CYBMUJFWSA-N 2 2 241.338 2.701 50 0 BFAALP CCc1ccc([C@@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000095098738 384365516 /nfs/dbraw/zinc/36/55/16/384365516.db2.gz XIQKJYFHHNPIPQ-OAHLLOKOSA-N 2 2 232.371 2.735 50 0 BFAALP CC[N@H+](C[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000019808867 384540656 /nfs/dbraw/zinc/54/06/56/384540656.db2.gz YNCHCKQOQFLUGF-ZDUSSCGKSA-N 2 2 224.392 2.783 50 0 BFAALP CC[N@@H+](C[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000019808867 384540665 /nfs/dbraw/zinc/54/06/65/384540665.db2.gz YNCHCKQOQFLUGF-ZDUSSCGKSA-N 2 2 224.392 2.783 50 0 BFAALP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000022936337 384780287 /nfs/dbraw/zinc/78/02/87/384780287.db2.gz FGKOMJYXNISQBH-MRXNPFEDSA-N 2 2 246.398 2.823 50 0 BFAALP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000022936337 384780294 /nfs/dbraw/zinc/78/02/94/384780294.db2.gz FGKOMJYXNISQBH-MRXNPFEDSA-N 2 2 246.398 2.823 50 0 BFAALP CC1CCC([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000019637157 168162294 /nfs/dbraw/zinc/16/22/94/168162294.db2.gz CGVVRKDALJBAIH-UHFFFAOYSA-N 2 2 224.392 2.641 50 0 BFAALP C[C@@H]1CCC[C@@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000002498902 176120636 /nfs/dbraw/zinc/12/06/36/176120636.db2.gz JOJOOBJTCMOJGP-TZMCWYRMSA-N 2 2 224.392 2.591 50 0 BFAALP C[C@@H]1CCC[C@@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000002498902 176120639 /nfs/dbraw/zinc/12/06/39/176120639.db2.gz JOJOOBJTCMOJGP-TZMCWYRMSA-N 2 2 224.392 2.591 50 0 BFAALP CC/C(C)=C/CC[N@@H+]1CCc2[nH+]c(C)[nH]c2C1 ZINC000670447938 487499144 /nfs/dbraw/zinc/49/91/44/487499144.db2.gz MIGUPDDARIEVIY-IZZDOVSWSA-N 2 2 233.359 2.823 50 0 BFAALP CC/C(C)=C/CC[N@H+]1CCc2[nH+]c(C)[nH]c2C1 ZINC000670447938 487499147 /nfs/dbraw/zinc/49/91/47/487499147.db2.gz MIGUPDDARIEVIY-IZZDOVSWSA-N 2 2 233.359 2.823 50 0 BFAALP CCCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[NH2+]CC3)o1 ZINC000244695561 521397485 /nfs/dbraw/zinc/39/74/85/521397485.db2.gz JORWUDDXHUSKTF-OLZOCXBDSA-N 2 2 248.370 2.558 50 0 BFAALP CCCc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[NH2+]CC3)o1 ZINC000244695561 521397493 /nfs/dbraw/zinc/39/74/93/521397493.db2.gz JORWUDDXHUSKTF-OLZOCXBDSA-N 2 2 248.370 2.558 50 0 BFAALP C[N@H+](C1CC[NH+](C)CC1)C1CCCCCC1 ZINC000004989196 635177305 /nfs/dbraw/zinc/17/73/05/635177305.db2.gz NYMLSCBJKUQAAZ-UHFFFAOYSA-N 2 2 224.392 2.735 50 0 BFAALP C[N@@H+](C1CC[NH+](C)CC1)C1CCCCCC1 ZINC000004989196 635177311 /nfs/dbraw/zinc/17/73/11/635177311.db2.gz NYMLSCBJKUQAAZ-UHFFFAOYSA-N 2 2 224.392 2.735 50 0 BFAALP Cc1cc(Cl)ccc1C[NH2+]CCn1cc[nH+]c1 ZINC000128727873 178066376 /nfs/dbraw/zinc/06/63/76/178066376.db2.gz CIALSWAVHJIPCX-UHFFFAOYSA-N 2 2 249.745 2.635 50 0 BFAALP Cc1cc2[nH]c(C3CC[NH2+]CC3)[nH+]c2cc1C ZINC000019737153 178301344 /nfs/dbraw/zinc/30/13/44/178301344.db2.gz SYZCGQUOHAEKHR-UHFFFAOYSA-N 2 2 229.327 2.647 50 0 BFAALP Clc1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000020126961 342789501 /nfs/dbraw/zinc/78/95/01/342789501.db2.gz FZTNJXWTFSJRLM-UHFFFAOYSA-N 2 2 238.762 2.525 50 0 BFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)s1 ZINC000022936123 343056984 /nfs/dbraw/zinc/05/69/84/343056984.db2.gz IQROTUPDKRCCDP-LBPRGKRZSA-N 2 2 238.400 2.630 50 0 BFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)s1 ZINC000022936123 343056986 /nfs/dbraw/zinc/05/69/86/343056986.db2.gz IQROTUPDKRCCDP-LBPRGKRZSA-N 2 2 238.400 2.630 50 0 BFAALP C[C@H](CC[NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000043534314 343131600 /nfs/dbraw/zinc/13/16/00/343131600.db2.gz VUIVOKWHQQARGE-CQSZACIVSA-N 2 2 243.354 2.667 50 0 BFAALP Cc1ccsc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000000236641 356357350 /nfs/dbraw/zinc/35/73/50/356357350.db2.gz CPAMYMZJEGQTJO-UHFFFAOYSA-N 2 2 238.400 2.583 50 0 BFAALP Cc1ccsc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000000236641 356357353 /nfs/dbraw/zinc/35/73/53/356357353.db2.gz CPAMYMZJEGQTJO-UHFFFAOYSA-N 2 2 238.400 2.583 50 0 BFAALP Cc1[nH]c(CNc2ccc(C)[nH+]c2C)[nH+]c1C ZINC000582615930 357353128 /nfs/dbraw/zinc/35/31/28/357353128.db2.gz BISDSNDIYWTNRG-UHFFFAOYSA-N 2 2 230.315 2.650 50 0 BFAALP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000089927315 360048390 /nfs/dbraw/zinc/04/83/90/360048390.db2.gz RQJPLGXPNXZOKD-HZSPNIEDSA-N 2 2 247.386 2.929 50 0 BFAALP [NH3+]CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000020654132 181390784 /nfs/dbraw/zinc/39/07/84/181390784.db2.gz ACTNHJDHMQSOGL-UHFFFAOYSA-N 2 2 240.350 2.648 50 0 BFAALP CCC[NH2+]c1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000032547805 169295127 /nfs/dbraw/zinc/29/51/27/169295127.db2.gz LSUVIRKZAJCETB-UHFFFAOYSA-N 2 2 248.370 2.982 50 0 BFAALP C[C@@H]([NH2+]CC[NH3+])c1cccc(Cl)c1Cl ZINC000235193911 384243940 /nfs/dbraw/zinc/24/39/40/384243940.db2.gz GXADVKKFZVKWOC-SSDOTTSWSA-N 2 2 233.142 2.603 50 0 BFAALP c1coc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563614 384252164 /nfs/dbraw/zinc/25/21/64/384252164.db2.gz UVEUBSGOWNJLCX-AWEZNQCLSA-N 2 2 248.370 2.730 50 0 BFAALP c1coc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563614 384252168 /nfs/dbraw/zinc/25/21/68/384252168.db2.gz UVEUBSGOWNJLCX-AWEZNQCLSA-N 2 2 248.370 2.730 50 0 BFAALP c1csc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000084442231 384396752 /nfs/dbraw/zinc/39/67/52/384396752.db2.gz UDZAAECNXZCCLD-NSHDSACASA-N 2 2 247.367 2.612 50 0 BFAALP CC[NH+](CC)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000032497020 385167590 /nfs/dbraw/zinc/16/75/90/385167590.db2.gz DTKJQBJNCCDZKO-GFCCVEGCSA-N 2 2 226.751 2.682 50 0 BFAALP c1cn(-c2ccc(C[NH+]3CCCCC3)cc2)c[nH+]1 ZINC000065497753 385317531 /nfs/dbraw/zinc/31/75/31/385317531.db2.gz PXTNYZRTXZQPNL-UHFFFAOYSA-N 2 2 241.338 2.858 50 0 BFAALP C[C@@H]([NH2+]CCCF)c1cccc(-n2cc[nH+]c2)c1 ZINC000170605239 388245349 /nfs/dbraw/zinc/24/53/49/388245349.db2.gz FEBIPSXCUUTCKH-GFCCVEGCSA-N 2 2 247.317 2.883 50 0 BFAALP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCn1cc[nH+]c1 ZINC000097098617 168103564 /nfs/dbraw/zinc/10/35/64/168103564.db2.gz MVTCVCZOEUQRPU-GJZGRUSLSA-N 2 2 247.386 2.855 50 0 BFAALP C[C@@H](c1ccc(-c2ccc(N)[nH+]c2)cc1)[NH+](C)C ZINC000032576465 176013687 /nfs/dbraw/zinc/01/36/87/176013687.db2.gz GZTMSUWFLGRUQP-NSHDSACASA-N 2 2 241.338 2.953 50 0 BFAALP C[N@@H+](C/C=C/c1ccccc1)CCn1cc[nH+]c1 ZINC000216397958 522404177 /nfs/dbraw/zinc/40/41/77/522404177.db2.gz ILUYUBWYEIFDKA-VMPITWQZSA-N 2 2 241.338 2.528 50 0 BFAALP C[N@H+](C/C=C/c1ccccc1)CCn1cc[nH+]c1 ZINC000216397958 522404190 /nfs/dbraw/zinc/40/41/90/522404190.db2.gz ILUYUBWYEIFDKA-VMPITWQZSA-N 2 2 241.338 2.528 50 0 BFAALP Cc1cc([NH+](C)C)cc(C)c1NCc1[nH]cc[nH+]1 ZINC000097148777 178094585 /nfs/dbraw/zinc/09/45/85/178094585.db2.gz AEOGSIZUHBIMLY-UHFFFAOYSA-N 2 2 244.342 2.705 50 0 BFAALP [NH3+]C[C@@H](c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000083426018 398281600 /nfs/dbraw/zinc/28/16/00/398281600.db2.gz RWUVPSINUTZQTN-AWEZNQCLSA-N 2 2 236.334 2.702 50 0 BFAALP Cc1ccc2[nH]c(C3CC[NH2+]CC3)[nH+]c2c1C ZINC000019737151 342955844 /nfs/dbraw/zinc/95/58/44/342955844.db2.gz OPBKABDXRDKLFB-UHFFFAOYSA-N 2 2 229.327 2.647 50 0 BFAALP Cc1ccc2[nH+]c(C3CC[NH2+]CC3)[nH]c2c1C ZINC000019737151 342955846 /nfs/dbraw/zinc/95/58/46/342955846.db2.gz OPBKABDXRDKLFB-UHFFFAOYSA-N 2 2 229.327 2.647 50 0 BFAALP C[NH+](C)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000019796058 342958205 /nfs/dbraw/zinc/95/82/05/342958205.db2.gz FSIBMZQSKDDKDU-ZDUSSCGKSA-N 2 2 220.360 2.546 50 0 BFAALP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C1 ZINC000350440295 136360395 /nfs/dbraw/zinc/36/03/95/136360395.db2.gz RQJPLGXPNXZOKD-MGPQQGTHSA-N 2 2 247.386 2.929 50 0 BFAALP c1[nH]c(C2CC[NH2+]CC2)[nH+]c1-c1ccccc1 ZINC000034929379 183378665 /nfs/dbraw/zinc/37/86/65/183378665.db2.gz QJRQTWKTKQULMZ-UHFFFAOYSA-N 2 2 227.311 2.544 50 0 BFAALP CCc1ccccc1-c1[nH+]ccn1CC[NH+](C)C ZINC000067920018 383959844 /nfs/dbraw/zinc/95/98/44/383959844.db2.gz HXTFPZDVTVPDSM-UHFFFAOYSA-N 2 2 243.354 2.674 50 0 BFAALP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)o1 ZINC000097111249 384374482 /nfs/dbraw/zinc/37/44/82/384374482.db2.gz BIERMMTWWXLTJE-STQMWFEESA-N 2 2 236.359 2.723 50 0 BFAALP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)o1 ZINC000097111249 384374486 /nfs/dbraw/zinc/37/44/86/384374486.db2.gz BIERMMTWWXLTJE-STQMWFEESA-N 2 2 236.359 2.723 50 0 BFAALP CC(C)(C)CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188420978 384952294 /nfs/dbraw/zinc/95/22/94/384952294.db2.gz GZNAZHZXSGFMRT-CYBMUJFWSA-N 2 2 235.375 2.784 50 0 BFAALP CC(C)(C)CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188420978 384952303 /nfs/dbraw/zinc/95/23/03/384952303.db2.gz GZNAZHZXSGFMRT-CYBMUJFWSA-N 2 2 235.375 2.784 50 0 BFAALP [NH3+][C@@H](Cc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000057218575 384932383 /nfs/dbraw/zinc/93/23/83/384932383.db2.gz KXVWBHWBHHBOFJ-JTQLQIEISA-N 2 2 237.253 2.521 50 0 BFAALP [NH3+][C@@H]1CCC[C@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000070501263 387068142 /nfs/dbraw/zinc/06/81/42/387068142.db2.gz GJWFOQIKVTZEPM-VHSXEESVSA-N 2 2 215.300 2.548 50 0 BFAALP C[C@H]([NH2+]CCCF)c1cccc(-n2cc[nH+]c2)c1 ZINC000170605238 388245698 /nfs/dbraw/zinc/24/56/98/388245698.db2.gz FEBIPSXCUUTCKH-LBPRGKRZSA-N 2 2 247.317 2.883 50 0 BFAALP CC[NH+](CC)c1ccc(-n2cc[nH+]c2)cc1 ZINC000065503246 409994965 /nfs/dbraw/zinc/99/49/65/409994965.db2.gz JRFPLTOMRMWDBS-UHFFFAOYSA-N 2 2 215.300 2.719 50 0 BFAALP Cc1[nH]c2cc(C[NH2+]C3CCCC3)ccc2[nH+]1 ZINC000670444717 487492091 /nfs/dbraw/zinc/49/20/91/487492091.db2.gz IJDBPYFXSPRGPW-UHFFFAOYSA-N 2 2 229.327 2.904 50 0 BFAALP Cc1[nH]c2ccc(C[NH2+]C3CCCC3)cc2[nH+]1 ZINC000670444717 487492094 /nfs/dbraw/zinc/49/20/94/487492094.db2.gz IJDBPYFXSPRGPW-UHFFFAOYSA-N 2 2 229.327 2.904 50 0 BFAALP CC1=C[C@H]2C[C@@H](C1)C[C@H]([NH2+]CCn1cc[nH+]c1)C2 ZINC000888099147 583181021 /nfs/dbraw/zinc/18/10/21/583181021.db2.gz WLQVZHWWTMWVSL-RRFJBIMHSA-N 2 2 245.370 2.608 50 0 BFAALP Cc1cc2[nH+]cn(CC3CC[NH2+]CC3)c2cc1C ZINC000038478269 178305605 /nfs/dbraw/zinc/30/56/05/178305605.db2.gz KBZSAYKIAPFTFV-UHFFFAOYSA-N 2 2 243.354 2.653 50 0 BFAALP C[NH+]1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000037249998 342925343 /nfs/dbraw/zinc/92/53/43/342925343.db2.gz WWNOAZXVFRMOOP-UHFFFAOYSA-N 2 2 244.791 2.585 50 0 BFAALP CC[NH+](CC)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000019919288 342963288 /nfs/dbraw/zinc/96/32/88/342963288.db2.gz MWDRWMNXZAVEPD-OAHLLOKOSA-N 2 2 248.414 2.939 50 0 BFAALP Clc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000034874283 343279476 /nfs/dbraw/zinc/27/94/76/343279476.db2.gz YHLPHFDIOWRIRY-UHFFFAOYSA-N 2 2 249.745 2.716 50 0 BFAALP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C1 ZINC000350440294 136360575 /nfs/dbraw/zinc/36/05/75/136360575.db2.gz RQJPLGXPNXZOKD-MCIONIFRSA-N 2 2 247.386 2.929 50 0 BFAALP CC[C@H](C)C[N@@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000685943394 537932738 /nfs/dbraw/zinc/93/27/38/537932738.db2.gz LMKKDXDCGZNBTN-NSHDSACASA-N 2 2 233.359 2.693 50 0 BFAALP CC[C@H](C)C[N@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000685943394 537932744 /nfs/dbraw/zinc/93/27/44/537932744.db2.gz LMKKDXDCGZNBTN-NSHDSACASA-N 2 2 233.359 2.693 50 0 BFAALP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000019735491 188281613 /nfs/dbraw/zinc/28/16/13/188281613.db2.gz HVBYHCHNEWLEBK-MRXNPFEDSA-N 2 2 246.398 2.808 50 0 BFAALP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000019735491 188281615 /nfs/dbraw/zinc/28/16/15/188281615.db2.gz HVBYHCHNEWLEBK-MRXNPFEDSA-N 2 2 246.398 2.808 50 0 BFAALP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000089927312 360048235 /nfs/dbraw/zinc/04/82/35/360048235.db2.gz RQJPLGXPNXZOKD-RDBSUJKOSA-N 2 2 247.386 2.929 50 0 BFAALP [NH3+]CCCc1[nH]c2cc3ccccc3cc2[nH+]1 ZINC000002379864 181387265 /nfs/dbraw/zinc/38/72/65/181387265.db2.gz WYASJIIAIRANSQ-UHFFFAOYSA-N 2 2 225.295 2.607 50 0 BFAALP CCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904505 169281836 /nfs/dbraw/zinc/28/18/36/169281836.db2.gz IQTNFERCZAPJFD-OAHLLOKOSA-N 2 2 232.371 2.651 50 0 BFAALP CCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904505 169281838 /nfs/dbraw/zinc/28/18/38/169281838.db2.gz IQTNFERCZAPJFD-OAHLLOKOSA-N 2 2 232.371 2.651 50 0 BFAALP c1ccc(C[NH2+]CC[NH2+]Cc2ccccc2)cc1 ZINC000019366161 384515542 /nfs/dbraw/zinc/51/55/42/384515542.db2.gz JUHORIMYRDESRB-UHFFFAOYSA-N 2 2 240.350 2.566 50 0 in-man BFAALP [NH3+]C[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000022213597 384743049 /nfs/dbraw/zinc/74/30/49/384743049.db2.gz MAVSVTDHRPZPLI-GFCCVEGCSA-N 2 2 224.373 2.624 50 0 BFAALP Cc1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000032522376 385169707 /nfs/dbraw/zinc/16/97/07/385169707.db2.gz COBRLUMEMZKHLA-OAHLLOKOSA-N 2 2 232.371 2.871 50 0 BFAALP [NH3+][C@H]1CCC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000070501255 387067202 /nfs/dbraw/zinc/06/72/02/387067202.db2.gz GJWFOQIKVTZEPM-ZJUUUORDSA-N 2 2 215.300 2.548 50 0 BFAALP C[NH+](C)CC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000021956000 387257953 /nfs/dbraw/zinc/25/79/53/387257953.db2.gz PDWUJFVMOFGGQA-UHFFFAOYSA-N 2 2 226.408 2.743 50 0 BFAALP c1ccc([C@@H](C[NH2+]CC2CC2)[NH+]2CCCC2)cc1 ZINC000036882419 387994325 /nfs/dbraw/zinc/99/43/25/387994325.db2.gz FPZDJIWNYWDAKI-MRXNPFEDSA-N 2 2 244.382 2.823 50 0 BFAALP CC(C)=CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245611766 388593824 /nfs/dbraw/zinc/59/38/24/388593824.db2.gz OFAMWEALWZLOLF-ZIAGYGMSSA-N 2 2 233.359 2.732 50 0 BFAALP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245611766 388593828 /nfs/dbraw/zinc/59/38/28/388593828.db2.gz OFAMWEALWZLOLF-ZIAGYGMSSA-N 2 2 233.359 2.732 50 0 BFAALP C[C@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000041582427 177088503 /nfs/dbraw/zinc/08/85/03/177088503.db2.gz LTYYIVCKEHVRHA-UONOGXRCSA-N 2 2 224.392 2.641 50 0 BFAALP C[C@H]1CCC[C@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000000757797 177134704 /nfs/dbraw/zinc/13/47/04/177134704.db2.gz JOJOOBJTCMOJGP-JSGCOSHPSA-N 2 2 224.392 2.591 50 0 BFAALP C[C@H]1CCC[C@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000000757797 177134706 /nfs/dbraw/zinc/13/47/06/177134706.db2.gz JOJOOBJTCMOJGP-JSGCOSHPSA-N 2 2 224.392 2.591 50 0 BFAALP Cc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)o1 ZINC000097032721 398204034 /nfs/dbraw/zinc/20/40/34/398204034.db2.gz VNOQKBOYOZFKHU-UHFFFAOYSA-N 2 2 236.359 2.550 50 0 BFAALP CCC1CCC([N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000000757217 342692216 /nfs/dbraw/zinc/69/22/16/342692216.db2.gz ARCPFCJQEPFWGH-UHFFFAOYSA-N 2 2 238.419 2.981 50 0 BFAALP CCC1CCC([N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000000757217 342692219 /nfs/dbraw/zinc/69/22/19/342692219.db2.gz ARCPFCJQEPFWGH-UHFFFAOYSA-N 2 2 238.419 2.981 50 0 BFAALP CC(C)c1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126792 342970651 /nfs/dbraw/zinc/97/06/51/342970651.db2.gz FALFMIMJTHISKA-UHFFFAOYSA-N 2 2 246.398 2.995 50 0 BFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000022936551 343057207 /nfs/dbraw/zinc/05/72/07/343057207.db2.gz FKQNVDLKCQFMQV-AWEZNQCLSA-N 2 2 224.392 2.641 50 0 BFAALP CC[N@H+]1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000022936551 343057209 /nfs/dbraw/zinc/05/72/09/343057209.db2.gz FKQNVDLKCQFMQV-AWEZNQCLSA-N 2 2 224.392 2.641 50 0 BFAALP CC[NH+](CC)CCC[NH2+]Cc1ccccc1F ZINC000002933159 371706887 /nfs/dbraw/zinc/70/68/87/371706887.db2.gz JKRPRDGVVPWKEJ-UHFFFAOYSA-N 2 2 238.350 2.647 50 0 BFAALP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)co1 ZINC000000212705 183339512 /nfs/dbraw/zinc/33/95/12/183339512.db2.gz IDNRTJYXLFFYFE-UHFFFAOYSA-N 2 2 248.370 2.730 50 0 BFAALP Cc1ccc([C@H]2C[N@@H+](C3CCCCC3)C[C@@H]2[NH3+])o1 ZINC000092081155 384162819 /nfs/dbraw/zinc/16/28/19/384162819.db2.gz ZDFNBMJJNGBZEQ-KBPBESRZSA-N 2 2 248.370 2.647 50 0 BFAALP Cc1ccc([C@H]2C[N@H+](C3CCCCC3)C[C@@H]2[NH3+])o1 ZINC000092081155 384162824 /nfs/dbraw/zinc/16/28/24/384162824.db2.gz ZDFNBMJJNGBZEQ-KBPBESRZSA-N 2 2 248.370 2.647 50 0 BFAALP CC[C@H](C[NH3+])n1c[nH+]c2cc(C)c(C)cc21 ZINC000043540934 384282007 /nfs/dbraw/zinc/28/20/07/384282007.db2.gz VYTKFOWYAXCVOL-LLVKDONJSA-N 2 2 217.316 2.563 50 0 BFAALP CCc1ccc([C@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000095098739 384366257 /nfs/dbraw/zinc/36/62/57/384366257.db2.gz XIQKJYFHHNPIPQ-HNNXBMFYSA-N 2 2 232.371 2.735 50 0 BFAALP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000019735492 384534135 /nfs/dbraw/zinc/53/41/35/384534135.db2.gz HVBYHCHNEWLEBK-INIZCTEOSA-N 2 2 246.398 2.808 50 0 BFAALP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000019735492 384534142 /nfs/dbraw/zinc/53/41/42/384534142.db2.gz HVBYHCHNEWLEBK-INIZCTEOSA-N 2 2 246.398 2.808 50 0 BFAALP CC(C)Cn1c2ccccc2[nH+]c1CCC[NH3+] ZINC000019734039 384534362 /nfs/dbraw/zinc/53/43/62/384534362.db2.gz VKHYXZGHCNCEMJ-UHFFFAOYSA-N 2 2 231.343 2.584 50 0 BFAALP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1F ZINC000163457695 388026961 /nfs/dbraw/zinc/02/69/61/388026961.db2.gz WZKAZUDBJZYDMW-AWEZNQCLSA-N 2 2 247.317 2.763 50 0 BFAALP CCc1[nH+]c2ccccc2n1C1CC[NH2+]CC1 ZINC000036261438 172013677 /nfs/dbraw/zinc/01/36/77/172013677.db2.gz IGBQZVHOCJOZRS-UHFFFAOYSA-N 2 2 229.327 2.523 50 0 BFAALP C[NH+]1Cc2ccc3c4c(ccc(c24)C1)C[NH+](C)C3 ZINC000004395712 173201439 /nfs/dbraw/zinc/20/14/39/173201439.db2.gz VHNSKBKZGHFGKH-UHFFFAOYSA-N 2 2 238.334 2.731 50 0 BFAALP C[C@@H](c1cccs1)[N@H+](C)CCc1c[nH+]cn1C ZINC000253429616 176032663 /nfs/dbraw/zinc/03/26/63/176032663.db2.gz NWKODQQICZYGKU-NSHDSACASA-N 2 2 249.383 2.717 50 0 BFAALP C[C@@H]1CCC[C@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000004022666 176140924 /nfs/dbraw/zinc/14/09/24/176140924.db2.gz JOJOOBJTCMOJGP-OCCSQVGLSA-N 2 2 224.392 2.591 50 0 BFAALP C[C@@H]1CCC[C@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000004022666 176140925 /nfs/dbraw/zinc/14/09/25/176140925.db2.gz JOJOOBJTCMOJGP-OCCSQVGLSA-N 2 2 224.392 2.591 50 0 BFAALP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCc1[nH+]ccn1C ZINC000097098943 398223798 /nfs/dbraw/zinc/22/37/98/398223798.db2.gz KSDLLYUGTCHCJN-KBPBESRZSA-N 2 2 247.386 2.545 50 0 BFAALP CC[NH+](CC)CCn1c(C)[nH+]c2ccccc21 ZINC000000255083 342681333 /nfs/dbraw/zinc/68/13/33/342681333.db2.gz UKQQSEKHHQHVQH-UHFFFAOYSA-N 2 2 231.343 2.687 50 0 BFAALP Cc1[nH+]c2ccccc2n1-c1ccc(C[NH3+])cc1 ZINC000012395423 180101613 /nfs/dbraw/zinc/10/16/13/180101613.db2.gz JSIPQQYAYITNDE-UHFFFAOYSA-N 2 2 237.306 2.793 50 0 BFAALP Cc1[nH+]cn(Cc2c(C)[nH+]c3ccccn32)c1C ZINC000089547628 538581347 /nfs/dbraw/zinc/58/13/47/538581347.db2.gz RNGOFXYWDDPFOJ-UHFFFAOYSA-N 2 2 240.310 2.504 50 0 BFAALP Cc1cn2c([nH+]1)CC[C@H]([NH2+]CCC(C)(C)C)C2 ZINC000170087108 361390295 /nfs/dbraw/zinc/39/02/95/361390295.db2.gz LWGONSIWQPHCDO-LBPRGKRZSA-N 2 2 235.375 2.532 50 0 BFAALP CCC1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000002497388 371560847 /nfs/dbraw/zinc/56/08/47/371560847.db2.gz GEQNCPMUWRUNHY-UHFFFAOYSA-N 2 2 235.375 2.832 50 0 BFAALP Cc1ccc(C(C)(C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000067820837 383949474 /nfs/dbraw/zinc/94/94/74/383949474.db2.gz RKEAHBREBNIYHZ-AWEZNQCLSA-N 2 2 232.371 2.572 50 0 BFAALP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)o1 ZINC000097111252 384374501 /nfs/dbraw/zinc/37/45/01/384374501.db2.gz BIERMMTWWXLTJE-CHWSQXEVSA-N 2 2 236.359 2.723 50 0 BFAALP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)o1 ZINC000097111252 384374507 /nfs/dbraw/zinc/37/45/07/384374507.db2.gz BIERMMTWWXLTJE-CHWSQXEVSA-N 2 2 236.359 2.723 50 0 BFAALP Cc1ccccc1[C@@H](C[NH3+])[NH+]1CCC(C)CC1 ZINC000095100159 384365692 /nfs/dbraw/zinc/36/56/92/384365692.db2.gz ZYKVFXBMJPZELG-OAHLLOKOSA-N 2 2 232.371 2.727 50 0 BFAALP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccsc1)CCC2 ZINC000084618512 384406190 /nfs/dbraw/zinc/40/61/90/384406190.db2.gz PAZCNABEWJDGIS-LBPRGKRZSA-N 2 2 247.367 2.612 50 0 BFAALP C[C@H]([NH2+]CC[NH3+])c1cccc(Cl)c1Cl ZINC000235504678 384423143 /nfs/dbraw/zinc/42/31/43/384423143.db2.gz GXADVKKFZVKWOC-ZETCQYMHSA-N 2 2 233.142 2.603 50 0 BFAALP Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCC[NH2+]C1 ZINC000169676749 385417135 /nfs/dbraw/zinc/41/71/35/385417135.db2.gz HLMRVAUIUXLXQG-CQSZACIVSA-N 2 2 241.338 2.783 50 0 BFAALP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCn1cc[nH+]c1 ZINC000097098615 168101382 /nfs/dbraw/zinc/10/13/82/168101382.db2.gz MVTCVCZOEUQRPU-CABCVRRESA-N 2 2 247.386 2.855 50 0 BFAALP CC(C)c1[nH+]ccn1CC[NH+]1CCC(C)CC1 ZINC000096001656 168183382 /nfs/dbraw/zinc/18/33/82/168183382.db2.gz LGLPPCFNWCZXFT-UHFFFAOYSA-N 2 2 235.375 2.738 50 0 BFAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccoc1 ZINC000062136896 641024323 /nfs/dbraw/zinc/02/43/23/641024323.db2.gz BQQSQDZCOJXSBS-CYBMUJFWSA-N 2 2 247.342 2.681 50 0 BFAALP CC[N@@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC000020486664 342987218 /nfs/dbraw/zinc/98/72/18/342987218.db2.gz RWSFSWBSRODXRJ-OAHLLOKOSA-N 2 2 232.371 2.651 50 0 BFAALP CC[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC000020486664 342987222 /nfs/dbraw/zinc/98/72/22/342987222.db2.gz RWSFSWBSRODXRJ-OAHLLOKOSA-N 2 2 232.371 2.651 50 0 BFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1C ZINC000022935923 343056899 /nfs/dbraw/zinc/05/68/99/343056899.db2.gz ABSIFLHDOZCSOW-HNNXBMFYSA-N 2 2 232.371 2.569 50 0 BFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1C ZINC000022935923 343056901 /nfs/dbraw/zinc/05/69/01/343056901.db2.gz ABSIFLHDOZCSOW-HNNXBMFYSA-N 2 2 232.371 2.569 50 0 BFAALP Cc1[nH+]ccn1CCCCNc1cccc(C)[nH+]1 ZINC000157702774 179143144 /nfs/dbraw/zinc/14/31/44/179143144.db2.gz CMUZLHBIGLHOGH-UHFFFAOYSA-N 2 2 244.342 2.787 50 0 BFAALP [NH3+]CC1([NH+]2CCCCC2)C2CC3CC(C2)CC1C3 ZINC000032497009 181360251 /nfs/dbraw/zinc/36/02/51/181360251.db2.gz IRGLQLSXVRKAEX-UHFFFAOYSA-N 2 2 248.414 2.626 50 0 BFAALP CCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904506 169290788 /nfs/dbraw/zinc/29/07/88/169290788.db2.gz IQTNFERCZAPJFD-HNNXBMFYSA-N 2 2 232.371 2.651 50 0 BFAALP CCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904506 169290789 /nfs/dbraw/zinc/29/07/89/169290789.db2.gz IQTNFERCZAPJFD-HNNXBMFYSA-N 2 2 232.371 2.651 50 0 BFAALP CC(C)=CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000095981726 383873259 /nfs/dbraw/zinc/87/32/59/383873259.db2.gz OFAMWEALWZLOLF-KGLIPLIRSA-N 2 2 233.359 2.732 50 0 BFAALP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000095981726 383873262 /nfs/dbraw/zinc/87/32/62/383873262.db2.gz OFAMWEALWZLOLF-KGLIPLIRSA-N 2 2 233.359 2.732 50 0 BFAALP CC(C)=CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000095981727 383874465 /nfs/dbraw/zinc/87/44/65/383874465.db2.gz OFAMWEALWZLOLF-KBPBESRZSA-N 2 2 233.359 2.732 50 0 BFAALP CC(C)=CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000095981727 383874470 /nfs/dbraw/zinc/87/44/70/383874470.db2.gz OFAMWEALWZLOLF-KBPBESRZSA-N 2 2 233.359 2.732 50 0 BFAALP Cc1ccc(CCNc2cccc(C)[nH+]2)c[nH+]1 ZINC000157520874 384189420 /nfs/dbraw/zinc/18/94/20/384189420.db2.gz HIPHJPCYFBJYRU-UHFFFAOYSA-N 2 2 227.311 2.748 50 0 BFAALP c1coc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563615 384252178 /nfs/dbraw/zinc/25/21/78/384252178.db2.gz UVEUBSGOWNJLCX-CQSZACIVSA-N 2 2 248.370 2.730 50 0 BFAALP c1coc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563615 384252179 /nfs/dbraw/zinc/25/21/79/384252179.db2.gz UVEUBSGOWNJLCX-CQSZACIVSA-N 2 2 248.370 2.730 50 0 BFAALP [NH3+]C[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000095496177 384379693 /nfs/dbraw/zinc/37/96/93/384379693.db2.gz NRZLUHQRMXSAGX-CQSZACIVSA-N 2 2 218.344 2.562 50 0 BFAALP c1cn(C[C@H]2CCC[N@@H+]2Cc2ccsc2)c[nH+]1 ZINC000188418364 384951734 /nfs/dbraw/zinc/95/17/34/384951734.db2.gz KRLZJSKLIKBEGL-CYBMUJFWSA-N 2 2 247.367 2.609 50 0 BFAALP c1cn(C[C@H]2CCC[N@H+]2Cc2ccsc2)c[nH+]1 ZINC000188418364 384951743 /nfs/dbraw/zinc/95/17/43/384951743.db2.gz KRLZJSKLIKBEGL-CYBMUJFWSA-N 2 2 247.367 2.609 50 0 BFAALP Cc1c[nH+]c(-c2ccccc2)n1C1CC[NH2+]CC1 ZINC000169676762 385416623 /nfs/dbraw/zinc/41/66/23/385416623.db2.gz LMPXIVHTZCEKIQ-UHFFFAOYSA-N 2 2 241.338 2.783 50 0 BFAALP [NH3+][C@@H]1CCC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000070501261 387067400 /nfs/dbraw/zinc/06/74/00/387067400.db2.gz GJWFOQIKVTZEPM-NXEZZACHSA-N 2 2 215.300 2.548 50 0 BFAALP c1ccc([C@H](C[NH2+]CC2CC2)[NH+]2CCCC2)cc1 ZINC000036882420 387994240 /nfs/dbraw/zinc/99/42/40/387994240.db2.gz FPZDJIWNYWDAKI-INIZCTEOSA-N 2 2 244.382 2.823 50 0 BFAALP CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C1 ZINC000299754090 171055526 /nfs/dbraw/zinc/05/55/26/171055526.db2.gz FQWBUBDKNHTEOY-MCIONIFRSA-N 2 2 247.386 2.929 50 0 BFAALP c1ccc2c(c1)C[NH+](CCC[NH2+]C1CCCC1)C2 ZINC000048462740 490185992 /nfs/dbraw/zinc/18/59/92/490185992.db2.gz SLJRXBBUSGIQOX-UHFFFAOYSA-N 2 2 244.382 2.925 50 0 BFAALP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1F ZINC000163457815 522844683 /nfs/dbraw/zinc/84/46/83/522844683.db2.gz WZKAZUDBJZYDMW-CQSZACIVSA-N 2 2 247.317 2.763 50 0 BFAALP Cc1cccc(NCCCNc2cccc[nH+]2)[nH+]1 ZINC000184559275 524673701 /nfs/dbraw/zinc/67/37/01/524673701.db2.gz PBPHDEXVPYTLDF-UHFFFAOYSA-N 2 2 242.326 2.699 50 0 BFAALP CC1(C)[C@H]([NH2+]CCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]21 ZINC000121777844 583203264 /nfs/dbraw/zinc/20/32/64/583203264.db2.gz ZCRCQHNNNWENIG-HZSPNIEDSA-N 2 2 247.386 2.688 50 0 BFAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC000022935936 343057035 /nfs/dbraw/zinc/05/70/35/343057035.db2.gz YDJFELFKNBKIFL-HNNXBMFYSA-N 2 2 232.371 2.569 50 0 BFAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC000022935936 343057037 /nfs/dbraw/zinc/05/70/37/343057037.db2.gz YDJFELFKNBKIFL-HNNXBMFYSA-N 2 2 232.371 2.569 50 0 BFAALP C[C@@H](CC[NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000043534312 343131544 /nfs/dbraw/zinc/13/15/44/343131544.db2.gz VUIVOKWHQQARGE-AWEZNQCLSA-N 2 2 243.354 2.667 50 0 BFAALP Cc1ccc([C@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000032522377 343237132 /nfs/dbraw/zinc/23/71/32/343237132.db2.gz COBRLUMEMZKHLA-HNNXBMFYSA-N 2 2 232.371 2.871 50 0 BFAALP CCOc1ccc([C@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000038638667 343378023 /nfs/dbraw/zinc/37/80/23/343378023.db2.gz VFCNFXMZNXFOPY-HNNXBMFYSA-N 2 2 248.370 2.571 50 0 BFAALP Clc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000039170042 343386846 /nfs/dbraw/zinc/38/68/46/343386846.db2.gz UEXOSTHHNSNAHY-UHFFFAOYSA-N 2 2 249.745 2.716 50 0 BFAALP Cc1cccc(C(C)(C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000096491924 179028104 /nfs/dbraw/zinc/02/81/04/179028104.db2.gz JQFAEGILCLWWMA-UHFFFAOYSA-N 2 2 243.354 2.716 50 0 BFAALP Cc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000095977330 179066416 /nfs/dbraw/zinc/06/64/16/179066416.db2.gz NWUVBUMKBOXKCY-UHFFFAOYSA-N 2 2 243.354 2.714 50 0 BFAALP Cc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000095977330 179066418 /nfs/dbraw/zinc/06/64/18/179066418.db2.gz NWUVBUMKBOXKCY-UHFFFAOYSA-N 2 2 243.354 2.714 50 0 BFAALP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC3)C2)co1 ZINC000216433691 183341944 /nfs/dbraw/zinc/34/19/44/183341944.db2.gz OSLPSHHGQAGTSN-AWEZNQCLSA-N 2 2 248.370 2.587 50 0 BFAALP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC3)C2)co1 ZINC000216433691 183341946 /nfs/dbraw/zinc/34/19/46/183341946.db2.gz OSLPSHHGQAGTSN-AWEZNQCLSA-N 2 2 248.370 2.587 50 0 BFAALP CCc1ccc([C@@H](C[NH3+])[NH+](CC)CC)cc1 ZINC000038860314 384097376 /nfs/dbraw/zinc/09/73/76/384097376.db2.gz ZQVOMQCKKHRCLC-CQSZACIVSA-N 2 2 220.360 2.591 50 0 BFAALP CCc1ccc([C@H](C[NH3+])[NH+](CC)CC)cc1 ZINC000038860319 384097525 /nfs/dbraw/zinc/09/75/25/384097525.db2.gz ZQVOMQCKKHRCLC-AWEZNQCLSA-N 2 2 220.360 2.591 50 0 BFAALP [NH3+]C[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000095496178 384380760 /nfs/dbraw/zinc/38/07/60/384380760.db2.gz NRZLUHQRMXSAGX-AWEZNQCLSA-N 2 2 218.344 2.562 50 0 BFAALP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000022936339 384780118 /nfs/dbraw/zinc/78/01/18/384780118.db2.gz FGKOMJYXNISQBH-INIZCTEOSA-N 2 2 246.398 2.823 50 0 BFAALP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000022936339 384780124 /nfs/dbraw/zinc/78/01/24/384780124.db2.gz FGKOMJYXNISQBH-INIZCTEOSA-N 2 2 246.398 2.823 50 0 BFAALP CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000089948231 171055661 /nfs/dbraw/zinc/05/56/61/171055661.db2.gz FQWBUBDKNHTEOY-RDBSUJKOSA-N 2 2 247.386 2.929 50 0 BFAALP C[C@H]1CCCC[N@@H+]1CCCNc1cccc[nH+]1 ZINC000020563555 177075417 /nfs/dbraw/zinc/07/54/17/177075417.db2.gz POPCONBJMDKGOL-ZDUSSCGKSA-N 2 2 233.359 2.758 50 0 BFAALP C[C@H]1CCCC[N@H+]1CCCNc1cccc[nH+]1 ZINC000020563555 177075418 /nfs/dbraw/zinc/07/54/18/177075418.db2.gz POPCONBJMDKGOL-ZDUSSCGKSA-N 2 2 233.359 2.758 50 0 BFAALP CCC(C)(C)C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000084721049 488085415 /nfs/dbraw/zinc/08/54/15/488085415.db2.gz UJFHQRWCGKZOQZ-LBPRGKRZSA-N 2 2 235.375 2.786 50 0 BFAALP CCc1[nH+]ccn1C[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC001506399726 988774793 /nfs/dbraw/zinc/77/47/93/988774793.db2.gz CSDCZPURWLCZJX-GFCCVEGCSA-N 2 2 247.342 2.559 50 0 BFAALP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCc1[nH+]ccn1C ZINC000097098948 344014562 /nfs/dbraw/zinc/01/45/62/344014562.db2.gz KSDLLYUGTCHCJN-UONOGXRCSA-N 2 2 247.386 2.545 50 0 BFAALP Clc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126716 342970417 /nfs/dbraw/zinc/97/04/17/342970417.db2.gz KLAOUOOMPFFUMC-UHFFFAOYSA-N 2 2 238.762 2.525 50 0 BFAALP CCOc1ccc([C@@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000038638665 343378070 /nfs/dbraw/zinc/37/80/70/343378070.db2.gz VFCNFXMZNXFOPY-OAHLLOKOSA-N 2 2 248.370 2.571 50 0 BFAALP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071975 345615740 /nfs/dbraw/zinc/61/57/40/345615740.db2.gz ICZBVAWBUJHOSI-GFCCVEGCSA-N 2 2 245.326 2.691 50 0 BFAALP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000092071975 345615744 /nfs/dbraw/zinc/61/57/44/345615744.db2.gz ICZBVAWBUJHOSI-GFCCVEGCSA-N 2 2 245.326 2.691 50 0 BFAALP Cc1cccc(NCCc2cc[nH+]cc2C)[nH+]1 ZINC000097163395 179146363 /nfs/dbraw/zinc/14/63/63/179146363.db2.gz HUEVCYDBXSVVHW-UHFFFAOYSA-N 2 2 227.311 2.748 50 0 BFAALP CCCc1[nH+]ccn1CCC[NH+]1CCCCC1 ZINC000191836654 188174223 /nfs/dbraw/zinc/17/42/23/188174223.db2.gz HOOIUGYPZQZHTR-UHFFFAOYSA-N 2 2 235.375 2.712 50 0 BFAALP CC[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000000181937 360083752 /nfs/dbraw/zinc/08/37/52/360083752.db2.gz MKHUYGWYTBXICL-UHFFFAOYSA-N 2 2 232.371 2.603 50 0 BFAALP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000000181937 360083755 /nfs/dbraw/zinc/08/37/55/360083755.db2.gz MKHUYGWYTBXICL-UHFFFAOYSA-N 2 2 232.371 2.603 50 0 BFAALP [NH3+]CCn1c2ccccc2[nH+]c1C1CCCC1 ZINC000038478280 384082979 /nfs/dbraw/zinc/08/29/79/384082979.db2.gz DVONGLVRXURQCK-UHFFFAOYSA-N 2 2 229.327 2.653 50 0 BFAALP Cc1ccc(C)c(-c2[nH+]ccn2[C@H]2CC[NH2+]C2)c1 ZINC000072473396 384222876 /nfs/dbraw/zinc/22/28/76/384222876.db2.gz NXOOGINMLAAUSW-ZDUSSCGKSA-N 2 2 241.338 2.701 50 0 BFAALP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)o1 ZINC000097111247 384374783 /nfs/dbraw/zinc/37/47/83/384374783.db2.gz BIERMMTWWXLTJE-OLZOCXBDSA-N 2 2 236.359 2.723 50 0 BFAALP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)o1 ZINC000097111247 384374788 /nfs/dbraw/zinc/37/47/88/384374788.db2.gz BIERMMTWWXLTJE-OLZOCXBDSA-N 2 2 236.359 2.723 50 0 BFAALP [NH3+]C[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000019201145 384511986 /nfs/dbraw/zinc/51/19/86/384511986.db2.gz HFJGSTGLKXVXAC-NSHDSACASA-N 2 2 224.373 2.624 50 0 BFAALP c1csc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188412867 384950736 /nfs/dbraw/zinc/95/07/36/384950736.db2.gz WDEWCJZVBFTFHC-LBPRGKRZSA-N 2 2 247.367 2.609 50 0 BFAALP c1csc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188412867 384950742 /nfs/dbraw/zinc/95/07/42/384950742.db2.gz WDEWCJZVBFTFHC-LBPRGKRZSA-N 2 2 247.367 2.609 50 0 BFAALP CC1CCC(C[NH3+])([NH+]2CCCCCC2)CC1 ZINC000039034764 168153119 /nfs/dbraw/zinc/15/31/19/168153119.db2.gz ZUCZUKWXTNZAFK-UHFFFAOYSA-N 2 2 224.392 2.770 50 0 BFAALP C[NH2+]CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000057362400 173349792 /nfs/dbraw/zinc/34/97/92/173349792.db2.gz BILOLZGHIWGKKH-UHFFFAOYSA-N 2 2 247.169 2.693 50 0 BFAALP COc1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000032522360 175178322 /nfs/dbraw/zinc/17/83/22/175178322.db2.gz CPASXXYSPZFNNT-OAHLLOKOSA-N 2 2 248.370 2.571 50 0 BFAALP C[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000041582424 176080922 /nfs/dbraw/zinc/08/09/22/176080922.db2.gz LTYYIVCKEHVRHA-KGLIPLIRSA-N 2 2 224.392 2.641 50 0 BFAALP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000121777664 583203347 /nfs/dbraw/zinc/20/33/47/583203347.db2.gz ZCRCQHNNNWENIG-RDBSUJKOSA-N 2 2 247.386 2.688 50 0 BFAALP c1cn(CCC[NH2+]C2CCCCCC2)c[nH+]1 ZINC000002498899 642408832 /nfs/dbraw/zinc/40/88/32/642408832.db2.gz HQWMNQPWQFUADS-UHFFFAOYSA-N 2 2 221.348 2.586 50 0 BFAALP [NH3+][C@@H](c1ccc(F)cc1)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000022029536 343037067 /nfs/dbraw/zinc/03/70/67/343037067.db2.gz DWKHQEHNAPMAGG-KBPBESRZSA-N 2 2 248.276 2.665 50 0 BFAALP Cc1ccccc1[C@H](C[NH3+])[NH+]1CCC(C)CC1 ZINC000095100160 179342070 /nfs/dbraw/zinc/34/20/70/179342070.db2.gz ZYKVFXBMJPZELG-HNNXBMFYSA-N 2 2 232.371 2.727 50 0 BFAALP c1c[nH+]c(CCn2cc[nH+]c2[C@H]2CC=CCC2)[nH]1 ZINC000067714419 188129783 /nfs/dbraw/zinc/12/97/83/188129783.db2.gz ZCWVYWCTTFSXHH-LBPRGKRZSA-N 2 2 242.326 2.673 50 0 BFAALP Cc1cc(CSC(N)=[NH2+])cc(C(C)(C)C)[nH+]1 ZINC000075279579 356938403 /nfs/dbraw/zinc/93/84/03/356938403.db2.gz XLGNKEUQTDQQOH-UHFFFAOYSA-N 2 2 237.372 2.814 50 0 BFAALP CCC[C@H](C)c1[nH+]ccn1CC[NH+]1CCCC1 ZINC000071774600 384178322 /nfs/dbraw/zinc/17/83/22/384178322.db2.gz MMEOBAPWXXOEFX-ZDUSSCGKSA-N 2 2 235.375 2.883 50 0 BFAALP c1csc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)c1 ZINC000084442232 384397948 /nfs/dbraw/zinc/39/79/48/384397948.db2.gz UDZAAECNXZCCLD-LLVKDONJSA-N 2 2 247.367 2.612 50 0 BFAALP Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCC[NH2+]C1 ZINC000169676750 385416838 /nfs/dbraw/zinc/41/68/38/385416838.db2.gz HLMRVAUIUXLXQG-AWEZNQCLSA-N 2 2 241.338 2.783 50 0 BFAALP CCSCC[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000336778313 386457051 /nfs/dbraw/zinc/45/70/51/386457051.db2.gz LAJXOJWBYLEETB-CYBMUJFWSA-N 2 2 244.448 2.594 50 0 BFAALP CCSCC[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000336778314 386458969 /nfs/dbraw/zinc/45/89/69/386458969.db2.gz LAJXOJWBYLEETB-ZDUSSCGKSA-N 2 2 244.448 2.594 50 0 BFAALP COc1ccc2[nH+]c(C)cc(-n3cc[nH+]c3)c2c1 ZINC000041478884 175228031 /nfs/dbraw/zinc/22/80/31/175228031.db2.gz MYRQWQYPLZLEPK-UHFFFAOYSA-N 2 2 239.278 2.738 50 0 BFAALP CCc1[nH+]ccn1CC[N@H+](C)C(C1CC1)C1CC1 ZINC000244831532 522581989 /nfs/dbraw/zinc/58/19/89/522581989.db2.gz UFMSNQZAXNPHKP-UHFFFAOYSA-N 2 2 247.386 2.566 50 0 BFAALP CCc1[nH+]ccn1CC[N@@H+](C)C(C1CC1)C1CC1 ZINC000244831532 522582003 /nfs/dbraw/zinc/58/20/03/522582003.db2.gz UFMSNQZAXNPHKP-UHFFFAOYSA-N 2 2 247.386 2.566 50 0 BFAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccoc1 ZINC000062136897 641023459 /nfs/dbraw/zinc/02/34/59/641023459.db2.gz BQQSQDZCOJXSBS-ZDUSSCGKSA-N 2 2 247.342 2.681 50 0 BFAALP c1cn(CCC[NH2+]C2CCCCCCC2)c[nH+]1 ZINC000002498846 978581528 /nfs/dbraw/zinc/58/15/28/978581528.db2.gz TZSYTZXCQRTFQS-UHFFFAOYSA-N 2 2 235.375 2.976 50 0 BFAALP C[NH+]1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000000757118 342692279 /nfs/dbraw/zinc/69/22/79/342692279.db2.gz AEAANZGNFFGYSV-UHFFFAOYSA-N 2 2 238.762 2.524 50 0 BFAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC000022936548 343057193 /nfs/dbraw/zinc/05/71/93/343057193.db2.gz FKQNVDLKCQFMQV-CQSZACIVSA-N 2 2 224.392 2.641 50 0 BFAALP CC[N@H+]1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC000022936548 343057195 /nfs/dbraw/zinc/05/71/95/343057195.db2.gz FKQNVDLKCQFMQV-CQSZACIVSA-N 2 2 224.392 2.641 50 0 BFAALP Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000000217927 343269371 /nfs/dbraw/zinc/26/93/71/343269371.db2.gz RPVACLUYJCXYEJ-UHFFFAOYSA-N 2 2 238.400 2.583 50 0 BFAALP Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000000217927 343269374 /nfs/dbraw/zinc/26/93/74/343269374.db2.gz RPVACLUYJCXYEJ-UHFFFAOYSA-N 2 2 238.400 2.583 50 0 BFAALP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccsc3)C2)[nH]1 ZINC000092073819 345615704 /nfs/dbraw/zinc/61/57/04/345615704.db2.gz CMXZQHQWWITCTD-LBPRGKRZSA-N 2 2 247.367 2.851 50 0 BFAALP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccsc3)C2)[nH]1 ZINC000092073819 345615705 /nfs/dbraw/zinc/61/57/05/345615705.db2.gz CMXZQHQWWITCTD-LBPRGKRZSA-N 2 2 247.367 2.851 50 0 BFAALP [NH3+]C[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000019201142 384513183 /nfs/dbraw/zinc/51/31/83/384513183.db2.gz HFJGSTGLKXVXAC-LLVKDONJSA-N 2 2 224.373 2.624 50 0 BFAALP c1csc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188412842 384951035 /nfs/dbraw/zinc/95/10/35/384951035.db2.gz WDEWCJZVBFTFHC-GFCCVEGCSA-N 2 2 247.367 2.609 50 0 BFAALP c1csc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188412842 384951042 /nfs/dbraw/zinc/95/10/42/384951042.db2.gz WDEWCJZVBFTFHC-GFCCVEGCSA-N 2 2 247.367 2.609 50 0 BFAALP [NH3+][C@H](Cc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000057218574 384932475 /nfs/dbraw/zinc/93/24/75/384932475.db2.gz KXVWBHWBHHBOFJ-SNVBAGLBSA-N 2 2 237.253 2.521 50 0 BFAALP c1ccc2c(c1)cccc2C[NH2+][C@H]1CCC[NH2+]C1 ZINC000052060859 386874356 /nfs/dbraw/zinc/87/43/56/386874356.db2.gz IFAAZGLVJDLQDT-HNNXBMFYSA-N 2 2 240.350 2.681 50 0 BFAALP C[C@H](c1cccs1)[N@H+](C)CCc1c[nH+]cn1C ZINC000253429614 177048839 /nfs/dbraw/zinc/04/88/39/177048839.db2.gz NWKODQQICZYGKU-LLVKDONJSA-N 2 2 249.383 2.717 50 0 BFAALP C[C@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000041582425 177082721 /nfs/dbraw/zinc/08/27/21/177082721.db2.gz LTYYIVCKEHVRHA-KBPBESRZSA-N 2 2 224.392 2.641 50 0 BFAALP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CCCCC[NH2+]1 ZINC000039706246 177117046 /nfs/dbraw/zinc/11/70/46/177117046.db2.gz DPQMTMQEYUBYSU-HZSPNIEDSA-N 2 2 224.392 2.782 50 0 BFAALP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1CCCCC[NH2+]1 ZINC000039706246 177117048 /nfs/dbraw/zinc/11/70/48/177117048.db2.gz DPQMTMQEYUBYSU-HZSPNIEDSA-N 2 2 224.392 2.782 50 0 BFAALP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CCCCC[NH2+]1 ZINC000022204576 177117887 /nfs/dbraw/zinc/11/78/87/177117887.db2.gz DPQMTMQEYUBYSU-MJBXVCDLSA-N 2 2 224.392 2.782 50 0 BFAALP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CCCCC[NH2+]1 ZINC000022204576 177117888 /nfs/dbraw/zinc/11/78/88/177117888.db2.gz DPQMTMQEYUBYSU-MJBXVCDLSA-N 2 2 224.392 2.782 50 0 BFAALP CCC(F)(F)C(C)(C)C[NH2+]CCn1cc[nH+]c1 ZINC000691030083 965268595 /nfs/dbraw/zinc/26/85/95/965268595.db2.gz MZYIOOUZVKAUEO-UHFFFAOYSA-N 2 2 245.317 2.544 50 0 BFAALP Cc1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)nc[nH+]1 ZINC000011902798 178153838 /nfs/dbraw/zinc/15/38/38/178153838.db2.gz FYADSIOHXRRHDW-UHFFFAOYSA-N 2 2 248.374 2.506 50 0 BFAALP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCc1[nH+]ccn1C ZINC000097098940 398223849 /nfs/dbraw/zinc/22/38/49/398223849.db2.gz KSDLLYUGTCHCJN-KGLIPLIRSA-N 2 2 247.386 2.545 50 0 BFAALP [NH3+][C@H](c1ccc(F)cc1)[C@H]([NH3+])c1ccc(F)cc1 ZINC000019363803 342946882 /nfs/dbraw/zinc/94/68/82/342946882.db2.gz DWKHQEHNAPMAGG-ZIAGYGMSSA-N 2 2 248.276 2.665 50 0 BFAALP C[NH+](C)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000019796059 342958248 /nfs/dbraw/zinc/95/82/48/342958248.db2.gz FSIBMZQSKDDKDU-CYBMUJFWSA-N 2 2 220.360 2.546 50 0 BFAALP Cc1ccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000032445531 343235755 /nfs/dbraw/zinc/23/57/55/343235755.db2.gz RJRUFVDQHGNTAA-HNNXBMFYSA-N 2 2 232.371 2.727 50 0 BFAALP Cc1ccc(C(C)(C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000067820835 383950049 /nfs/dbraw/zinc/95/00/49/383950049.db2.gz RKEAHBREBNIYHZ-CQSZACIVSA-N 2 2 232.371 2.572 50 0 BFAALP C[NH2+][C@H](c1ccccc1)[C@H]([NH2+]C)c1ccccc1 ZINC000038202285 384078929 /nfs/dbraw/zinc/07/89/29/384078929.db2.gz BTHYVQUNQHWNLS-HZPDHXFCSA-N 2 2 240.350 2.908 50 0 BFAALP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)o1 ZINC000097111254 384374359 /nfs/dbraw/zinc/37/43/59/384374359.db2.gz BIERMMTWWXLTJE-QWHCGFSZSA-N 2 2 236.359 2.723 50 0 BFAALP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)o1 ZINC000097111254 384374360 /nfs/dbraw/zinc/37/43/60/384374360.db2.gz BIERMMTWWXLTJE-QWHCGFSZSA-N 2 2 236.359 2.723 50 0 BFAALP [NH3+]CCc1[nH+]c(-c2ccccc2)c2ccccn21 ZINC000083253551 384773878 /nfs/dbraw/zinc/77/38/78/384773878.db2.gz KYAMGLJRCGOEHV-UHFFFAOYSA-N 2 2 237.306 2.503 50 0 BFAALP [NH3+]C[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000022213599 384745077 /nfs/dbraw/zinc/74/50/77/384745077.db2.gz MAVSVTDHRPZPLI-LBPRGKRZSA-N 2 2 224.373 2.624 50 0 BFAALP CC(C)Cc1c(-c2ccccc2)[nH+]cn1CC[NH3+] ZINC000065385716 385304035 /nfs/dbraw/zinc/30/40/35/385304035.db2.gz BUMDMQOKSXARDM-UHFFFAOYSA-N 2 2 243.354 2.707 50 0 BFAALP CC(C)=CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245611763 388593978 /nfs/dbraw/zinc/59/39/78/388593978.db2.gz OFAMWEALWZLOLF-UONOGXRCSA-N 2 2 233.359 2.732 50 0 BFAALP CC(C)=CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245611763 388593981 /nfs/dbraw/zinc/59/39/81/388593981.db2.gz OFAMWEALWZLOLF-UONOGXRCSA-N 2 2 233.359 2.732 50 0 BFAALP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCn1cc[nH+]c1 ZINC000097098620 168102345 /nfs/dbraw/zinc/10/23/45/168102345.db2.gz MVTCVCZOEUQRPU-HUUCEWRRSA-N 2 2 247.386 2.855 50 0 BFAALP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCn1cc[nH+]c1 ZINC000097098623 168103526 /nfs/dbraw/zinc/10/35/26/168103526.db2.gz MVTCVCZOEUQRPU-LSDHHAIUSA-N 2 2 247.386 2.855 50 0 BFAALP CC1CCC([N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000000220343 168157846 /nfs/dbraw/zinc/15/78/46/168157846.db2.gz UNGSXOFOIPTNPS-UHFFFAOYSA-N 2 2 224.392 2.591 50 0 BFAALP CC1CCC([N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000000220343 168157848 /nfs/dbraw/zinc/15/78/48/168157848.db2.gz UNGSXOFOIPTNPS-UHFFFAOYSA-N 2 2 224.392 2.591 50 0 BFAALP CC[NH+](CC)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000019919286 520686263 /nfs/dbraw/zinc/68/62/63/520686263.db2.gz MWDRWMNXZAVEPD-HNNXBMFYSA-N 2 2 248.414 2.939 50 0 BFAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C)c(C)o1 ZINC001506405547 988771775 /nfs/dbraw/zinc/77/17/75/988771775.db2.gz FZCAJJLMSZSQJK-CYBMUJFWSA-N 2 2 247.342 2.661 50 0 BFAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C)c(C)o1 ZINC001506405549 988772093 /nfs/dbraw/zinc/77/20/93/988772093.db2.gz FZCAJJLMSZSQJK-ZDUSSCGKSA-N 2 2 247.342 2.661 50 0 BFAALP CCc1[nH+]ccn1C[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC001506399729 988772805 /nfs/dbraw/zinc/77/28/05/988772805.db2.gz CSDCZPURWLCZJX-LBPRGKRZSA-N 2 2 247.342 2.559 50 0 BFAALP