smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OC1(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC[NH+](Cc2ccccc2F)CC1 ZINC000225473610 291386198 /nfs/dbraw/zinc/38/61/98/291386198.db2.gz NHQCZUWPNLXUPG-UHFFFAOYSA-N 2 2 437.584 4.324 40 0 biogenic,in-vitro IIABLP OC1(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC[NH+](Cc2ccccc2F)CC1 ZINC000225473610 291386200 /nfs/dbraw/zinc/38/62/00/291386200.db2.gz NHQCZUWPNLXUPG-UHFFFAOYSA-N 2 2 437.584 4.324 40 0 biogenic,in-vitro IIABLP C[NH+](C)CC(C)(C)CNc1nc(-c2cccnc2)nc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012233220 524047300 /nfs/dbraw/zinc/04/73/00/524047300.db2.gz SDSZIMFWBJQZGC-UHFFFAOYSA-N 2 2 448.590 4.236 40 0 IIABLP C[NH+](C)CC(C)(C)CNc1nc(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012233220 524047303 /nfs/dbraw/zinc/04/73/03/524047303.db2.gz SDSZIMFWBJQZGC-UHFFFAOYSA-N 2 2 448.590 4.236 40 0 IIABLP Cc1ccc[nH+]c1Nc1ccc(C2CC[NH+](Cc3ccc4c(c3)n(C)c(=O)n4C)CC2)nc1 ZINC000072374311 556947750 /nfs/dbraw/zinc/94/77/50/556947750.db2.gz GQIXPUNZLGAXGD-UHFFFAOYSA-N 2 2 442.567 4.099 40 0 IIABLP Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000072374712 556948818 /nfs/dbraw/zinc/94/88/18/556948818.db2.gz GJYGUVGESJZNCJ-FQEVSTJZSA-N 2 2 433.600 4.217 40 0 IIABLP Cc1ccc2[nH+]cc(C[NH+]3CCC4(CC(Nc5cc(C(F)(F)F)ncn5)C4)CC3)n2c1 ZINC000585103197 557037091 /nfs/dbraw/zinc/03/70/91/557037091.db2.gz MVSKLQTZTALPML-UHFFFAOYSA-N 2 2 430.478 4.308 40 0 IIABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1Cl ZINC000023471974 557314992 /nfs/dbraw/zinc/31/49/92/557314992.db2.gz XYEXIZMOJFVGHI-HNNXBMFYSA-N 2 2 427.372 4.031 40 0 IIABLP Cc1ccc(OCC2(O)CC[NH+](Cc3cccc(OCCCn4cc[nH+]c4)c3)CC2)c(C)c1 ZINC000585271260 568617527 /nfs/dbraw/zinc/61/75/27/568617527.db2.gz MFVNJGGGFWBHAU-UHFFFAOYSA-N 2 2 449.595 4.375 40 0 IIABLP C[NH+](C)CCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329052675 568810584 /nfs/dbraw/zinc/81/05/84/568810584.db2.gz VECPRWBMSYDFQX-UHFFFAOYSA-N 2 2 432.355 4.107 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)[NH+](C)C1 ZINC000248152709 569207337 /nfs/dbraw/zinc/20/73/37/569207337.db2.gz UVHMCUBZXAOWPH-GWJPWWOOSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)[NH+](C)C1 ZINC000248152709 569207338 /nfs/dbraw/zinc/20/73/38/569207338.db2.gz UVHMCUBZXAOWPH-GWJPWWOOSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[NH+](Cc3cc(F)ccc3F)C2)[N@H+](C)C1 ZINC000248152709 569207340 /nfs/dbraw/zinc/20/73/40/569207340.db2.gz UVHMCUBZXAOWPH-GWJPWWOOSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[NH+](Cc3cc(F)ccc3F)C2)[N@@H+](C)C1 ZINC000248152709 569207342 /nfs/dbraw/zinc/20/73/42/569207342.db2.gz UVHMCUBZXAOWPH-GWJPWWOOSA-N 2 2 443.538 4.144 40 0 IIABLP CC1(C)[C@H](Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000067890178 291379783 /nfs/dbraw/zinc/37/97/83/291379783.db2.gz MRUCRNHMLQSUDD-GJZUVCINSA-N 2 2 445.611 4.139 40 0 biogenic,in-vitro IIABLP Clc1ccc(N2CC[NH+](CCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000031666583 556525508 /nfs/dbraw/zinc/52/55/08/556525508.db2.gz XTIHYMWUBKINJP-UHFFFAOYSA-N 2 2 433.427 4.328 40 0 IIABLP Cc1[nH+]c2ccccc2n1Cc1cc(NCC2(c3cccc(C)c3)CCOCC2)nc(N)[nH+]1 ZINC000072373288 556946111 /nfs/dbraw/zinc/94/61/11/556946111.db2.gz OCQVHOQCFOUBCJ-UHFFFAOYSA-N 2 2 442.567 4.234 40 0 IIABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000023471907 557314952 /nfs/dbraw/zinc/31/49/52/557314952.db2.gz JRSCBLIHZMCBGL-HNNXBMFYSA-N 2 2 427.372 4.031 40 0 IIABLP C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328978807 568808467 /nfs/dbraw/zinc/80/84/67/568808467.db2.gz GBORIQZYSULQMX-UHFFFAOYSA-N 2 2 447.427 4.343 40 0 IIABLP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc(Nc4ncccn4)cc(C)[nH+]3)C1)OCCO2 ZINC000072375039 556950526 /nfs/dbraw/zinc/95/05/26/556950526.db2.gz MLCYNJKNOIMBTA-GOSISDBHSA-N 2 2 447.539 4.083 40 0 IIABLP COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3cc(Nc4ncccn4)cc(C)[nH+]3)C1)OCCO2 ZINC000072375039 556950529 /nfs/dbraw/zinc/95/05/29/556950529.db2.gz MLCYNJKNOIMBTA-GOSISDBHSA-N 2 2 447.539 4.083 40 0 IIABLP COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@H+](CC(=O)Nc4cc(C)on4)C3)c2)c1 ZINC000257218941 568673781 /nfs/dbraw/zinc/67/37/81/568673781.db2.gz DEYPYWVASNJKFR-GOSISDBHSA-N 2 2 435.528 4.257 40 0 IIABLP COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@@H+](CC(=O)Nc4cc(C)on4)C3)c2)c1 ZINC000257218941 568673784 /nfs/dbraw/zinc/67/37/84/568673784.db2.gz DEYPYWVASNJKFR-GOSISDBHSA-N 2 2 435.528 4.257 40 0 IIABLP Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](Cc3cccn4cc[nH+]c34)CC2)c1 ZINC000257239744 568683783 /nfs/dbraw/zinc/68/37/83/568683783.db2.gz HQPZXHHOLPHATD-NRFANRHFSA-N 2 2 427.552 4.373 40 0 IIABLP Cc1[nH+]c2ccccc2n1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257294800 568709021 /nfs/dbraw/zinc/70/90/21/568709021.db2.gz QVUHRRYRSJPKIB-AEIUDCSLSA-N 2 2 442.607 4.478 40 0 IIABLP Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@H](Cc2cccn3cc[nH+]c23)CC1 ZINC000257340339 568728764 /nfs/dbraw/zinc/72/87/64/568728764.db2.gz ZFPCLPAEUJKNMU-NRFANRHFSA-N 2 2 427.552 4.373 40 0 IIABLP Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CCN(C(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)C2)n1 ZINC000072374711 556948856 /nfs/dbraw/zinc/94/88/56/556948856.db2.gz GJYGUVGESJZNCJ-HXUWFJFHSA-N 2 2 433.600 4.217 40 0 IIABLP CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000072394072 556965643 /nfs/dbraw/zinc/96/56/43/556965643.db2.gz DZHMNSVQUMSABO-VWLOTQADSA-N 2 2 436.556 4.080 40 0 IIABLP CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000072394072 556965645 /nfs/dbraw/zinc/96/56/45/556965645.db2.gz DZHMNSVQUMSABO-VWLOTQADSA-N 2 2 436.556 4.080 40 0 IIABLP Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3cccc(OCCn4cc[nH+]c4)c3)CC2)cc1 ZINC000585270394 557214310 /nfs/dbraw/zinc/21/43/10/557214310.db2.gz CHRLZKUZDUBACY-AREMUKBSSA-N 2 2 435.568 4.067 40 0 IIABLP Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3cccc(OCCn4cc[nH+]c4)c3)CC2)cc1 ZINC000585270394 557214311 /nfs/dbraw/zinc/21/43/11/557214311.db2.gz CHRLZKUZDUBACY-AREMUKBSSA-N 2 2 435.568 4.067 40 0 IIABLP Cc1[nH+]ccn1Cc1cccc(C(=O)N2CC[N@H+](C)[C@H](c3ccc(OC(C)C)cc3)C2)c1 ZINC000257248668 568687910 /nfs/dbraw/zinc/68/79/10/568687910.db2.gz JESBUFSHRPMLJB-VWLOTQADSA-N 2 2 432.568 4.156 40 0 IIABLP Cc1[nH+]ccn1Cc1cccc(C(=O)N2CC[N@@H+](C)[C@H](c3ccc(OC(C)C)cc3)C2)c1 ZINC000257248668 568687911 /nfs/dbraw/zinc/68/79/11/568687911.db2.gz JESBUFSHRPMLJB-VWLOTQADSA-N 2 2 432.568 4.156 40 0 IIABLP CCn1cc(C[N@@H+]2CCO[C@H](c3ccc(-c4ccc(N)[nH+]c4)cn3)C2)c2ccc(F)cc21 ZINC000019693549 569228948 /nfs/dbraw/zinc/22/89/48/569228948.db2.gz MFRJGVSAZYGAAP-DEOSSOPVSA-N 2 2 431.515 4.413 40 0 IIABLP CCn1cc(C[N@H+]2CCO[C@H](c3ccc(-c4ccc(N)[nH+]c4)cn3)C2)c2ccc(F)cc21 ZINC000019693549 569228949 /nfs/dbraw/zinc/22/89/49/569228949.db2.gz MFRJGVSAZYGAAP-DEOSSOPVSA-N 2 2 431.515 4.413 40 0 IIABLP COc1ccc(C[N@@H+]2CCC[C@H](c3onc4c3C[C@@H](C)CC4)C2)cc1C[NH+]1CCOCC1 ZINC000036718934 524030300 /nfs/dbraw/zinc/03/03/00/524030300.db2.gz DZIGMEBTHRYYKN-FPOVZHCZSA-N 2 2 439.600 4.020 40 0 IIABLP COc1ccc(C[N@H+]2CCC[C@H](c3onc4c3C[C@@H](C)CC4)C2)cc1C[NH+]1CCOCC1 ZINC000036718934 524030303 /nfs/dbraw/zinc/03/03/03/524030303.db2.gz DZIGMEBTHRYYKN-FPOVZHCZSA-N 2 2 439.600 4.020 40 0 IIABLP COc1ccc(C[N@@H+]2CCC[C@H](c3onc4c3C[C@H](C)CC4)C2)cc1C[NH+]1CCOCC1 ZINC000019497162 556769351 /nfs/dbraw/zinc/76/93/51/556769351.db2.gz DZIGMEBTHRYYKN-CTNGQTDRSA-N 2 2 439.600 4.020 40 0 IIABLP COc1ccc(C[N@H+]2CCC[C@H](c3onc4c3C[C@H](C)CC4)C2)cc1C[NH+]1CCOCC1 ZINC000019497162 556769355 /nfs/dbraw/zinc/76/93/55/556769355.db2.gz DZIGMEBTHRYYKN-CTNGQTDRSA-N 2 2 439.600 4.020 40 0 IIABLP CNc1ncccc1C[NH+]1CCC(Cc2cc(NCc3cccc(OC)c3)nc(C)[nH+]2)CC1 ZINC000019758926 556902537 /nfs/dbraw/zinc/90/25/37/556902537.db2.gz TVAKVXFVLPHXBO-UHFFFAOYSA-N 2 2 446.599 4.297 40 0 IIABLP CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc(Nc4ncccn4)cc(C)[nH+]3)C2)cc1CO ZINC000072375050 556950311 /nfs/dbraw/zinc/95/03/11/556950311.db2.gz WNMAPWFQOCEXBU-HXUWFJFHSA-N 2 2 433.556 4.194 40 0 IIABLP CCOc1ccc(C[N@H+]2CCC[C@@H](c3cc(Nc4ncccn4)cc(C)[nH+]3)C2)cc1CO ZINC000072375050 556950316 /nfs/dbraw/zinc/95/03/16/556950316.db2.gz WNMAPWFQOCEXBU-HXUWFJFHSA-N 2 2 433.556 4.194 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)[NH+](C)C1 ZINC000019587547 557501292 /nfs/dbraw/zinc/50/12/92/557501292.db2.gz VXNUDOAHEVKNRV-SFGWALBWSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)[NH+](C)C1 ZINC000019587547 557501294 /nfs/dbraw/zinc/50/12/94/557501294.db2.gz VXNUDOAHEVKNRV-SFGWALBWSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[NH+](Cc3cccc(F)c3F)C2)[N@H+](C)C1 ZINC000019587547 557501296 /nfs/dbraw/zinc/50/12/96/557501296.db2.gz VXNUDOAHEVKNRV-SFGWALBWSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[NH+](Cc3cccc(F)c3F)C2)[N@@H+](C)C1 ZINC000019587547 557501298 /nfs/dbraw/zinc/50/12/98/557501298.db2.gz VXNUDOAHEVKNRV-SFGWALBWSA-N 2 2 443.538 4.144 40 0 IIABLP Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)c(Br)c1 ZINC000329007183 568809050 /nfs/dbraw/zinc/80/90/50/568809050.db2.gz LIFDBTNKLFDTNL-UHFFFAOYSA-N 2 2 440.389 4.166 40 0 IIABLP CNc1cc(CC2CC[NH+](Cc3ccc(OC)c(Cc4c(C)n[nH]c4C)c3)CC2)[nH+]c(C)n1 ZINC000019758932 569237468 /nfs/dbraw/zinc/23/74/68/569237468.db2.gz YTSXPWAPJVAWKI-UHFFFAOYSA-N 2 2 448.615 4.221 40 0 IIABLP Cc1[nH+]c2ccccc2n1Cc1cc(NCC2(c3cccc(F)c3)CCOCC2)nc(N)[nH+]1 ZINC000072373314 556946375 /nfs/dbraw/zinc/94/63/75/556946375.db2.gz OCUYPIFGHRKMAR-UHFFFAOYSA-N 2 2 446.530 4.065 40 0 IIABLP CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC(c2ccc(Nc3cccc(C)[nH+]3)cn2)CC1 ZINC000072374262 556947593 /nfs/dbraw/zinc/94/75/93/556947593.db2.gz DWXJKDITQUJJHO-GOSISDBHSA-N 2 2 432.572 4.330 40 0 IIABLP Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@H+](CC(=O)N3CCCc4ccccc43)C2)[nH+]1 ZINC000072374856 556948955 /nfs/dbraw/zinc/94/89/55/556948955.db2.gz WVUMFLCWOGUHHS-NRFANRHFSA-N 2 2 442.567 4.082 40 0 IIABLP Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@@H+](CC(=O)N3CCCc4ccccc43)C2)[nH+]1 ZINC000072374856 556948958 /nfs/dbraw/zinc/94/89/58/556948958.db2.gz WVUMFLCWOGUHHS-NRFANRHFSA-N 2 2 442.567 4.082 40 0 IIABLP CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000023471945 557093566 /nfs/dbraw/zinc/09/35/66/557093566.db2.gz WUSJMSQQTGCELD-UHFFFAOYSA-N 2 2 447.790 4.296 40 0 IIABLP COc1ccc(C[N@H+](Cc2ccc(F)cc2)Cc2cccnc2)cc1C[NH+]1CCOCC1 ZINC000013569159 557347411 /nfs/dbraw/zinc/34/74/11/557347411.db2.gz OEGYVNYABMOBKE-UHFFFAOYSA-N 2 2 435.543 4.264 40 0 IIABLP COc1ccc(C[N@@H+](Cc2ccc(F)cc2)Cc2cccnc2)cc1C[NH+]1CCOCC1 ZINC000013569159 557347413 /nfs/dbraw/zinc/34/74/13/557347413.db2.gz OEGYVNYABMOBKE-UHFFFAOYSA-N 2 2 435.543 4.264 40 0 IIABLP C[NH+](C)CCCNc1nc(Nc2ccc(O)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329005859 569582852 /nfs/dbraw/zinc/58/28/52/569582852.db2.gz KZPFIEUAKPVGHQ-UHFFFAOYSA-N 2 2 447.461 4.855 40 0 IIABLP CC(C)(C)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329065459 569582927 /nfs/dbraw/zinc/58/29/27/569582927.db2.gz XRWLZIPXVHSAHD-UHFFFAOYSA-N 2 2 437.510 5.054 40 0 IIABLP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OCc1ccccc1F ZINC000022074104 520711522 /nfs/dbraw/zinc/71/15/22/520711522.db2.gz PVQYOHIDFJGVSB-UHFFFAOYSA-N 2 2 436.955 4.269 40 0 IIABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cccc(C(F)(F)F)c5)ccc43)C2)CC1 ZINC000020503181 523770294 /nfs/dbraw/zinc/77/02/94/523770294.db2.gz FGVMCEAYGDOJSY-FUHWJXTLSA-N 2 2 431.502 4.047 40 0 biogenic,in-vitro IIABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cccc(C(F)(F)F)c5)ccc43)C2)CC1 ZINC000020503181 523770304 /nfs/dbraw/zinc/77/03/04/523770304.db2.gz FGVMCEAYGDOJSY-FUHWJXTLSA-N 2 2 431.502 4.047 40 0 biogenic,in-vitro IIABLP O=C(CN(c1[nH+]c([C@@H]2CCC[NH2+]C2)c2ccccn21)c1cccc(F)c1)NC1CCCC1 ZINC000019399752 556752716 /nfs/dbraw/zinc/75/27/16/556752716.db2.gz HCRSGKWGVDOTCU-GOSISDBHSA-N 2 2 435.547 4.137 40 0 IIABLP COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@@H]2c2ccc(Nc3[nH+]cccc3C)cn2)c1 ZINC000072353237 556926002 /nfs/dbraw/zinc/92/60/02/556926002.db2.gz RWCBHOUINZRUQN-XMMPIXPASA-N 2 2 445.567 4.333 40 0 IIABLP COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@@H]2c2ccc(Nc3[nH+]cccc3C)cn2)c1 ZINC000072353237 556926005 /nfs/dbraw/zinc/92/60/05/556926005.db2.gz RWCBHOUINZRUQN-XMMPIXPASA-N 2 2 445.567 4.333 40 0 IIABLP COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3cc(Nc4cnccn4)cc(C)[nH+]3)C1)OCCO2 ZINC000072375042 556950492 /nfs/dbraw/zinc/95/04/92/556950492.db2.gz GHRXTEDMFVGWIR-SFHVURJKSA-N 2 2 447.539 4.083 40 0 IIABLP COc1cc2c(cc1C[N@H+]1CCC[C@H](c3cc(Nc4cnccn4)cc(C)[nH+]3)C1)OCCO2 ZINC000072375042 556950494 /nfs/dbraw/zinc/95/04/94/556950494.db2.gz GHRXTEDMFVGWIR-SFHVURJKSA-N 2 2 447.539 4.083 40 0 IIABLP CC[NH+](CC)CCCNc1nc(-c2ccncc2)nc2c1CC[N@H+](Cc1ccccc1F)C2 ZINC000057743645 557258233 /nfs/dbraw/zinc/25/82/33/557258233.db2.gz RLLYZJZPUWTJHD-UHFFFAOYSA-N 2 2 448.590 4.380 40 0 IIABLP CC[NH+](CC)CCCNc1nc(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccccc1F)C2 ZINC000057743645 557258235 /nfs/dbraw/zinc/25/82/35/557258235.db2.gz RLLYZJZPUWTJHD-UHFFFAOYSA-N 2 2 448.590 4.380 40 0 IIABLP CC[NH+](CC)CCCNc1nc(-c2cccnc2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000057743702 557258248 /nfs/dbraw/zinc/25/82/48/557258248.db2.gz CUNROQDWOVBBPK-UHFFFAOYSA-N 2 2 448.590 4.380 40 0 IIABLP CC[NH+](CC)CCCNc1nc(-c2cccnc2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000057743702 557258252 /nfs/dbraw/zinc/25/82/52/557258252.db2.gz CUNROQDWOVBBPK-UHFFFAOYSA-N 2 2 448.590 4.380 40 0 IIABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000023471904 557314898 /nfs/dbraw/zinc/31/48/98/557314898.db2.gz JRSCBLIHZMCBGL-OAHLLOKOSA-N 2 2 427.372 4.031 40 0 IIABLP Cc1cc(Nc2nccs2)cc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)n(C)c(=O)n4C)C2)[nH+]1 ZINC000257285395 568704528 /nfs/dbraw/zinc/70/45/28/568704528.db2.gz PGWPNFPVADNRNI-GOSISDBHSA-N 2 2 448.596 4.160 40 0 IIABLP Cc1cc(Nc2nccs2)cc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)n(C)c(=O)n4C)C2)[nH+]1 ZINC000257285395 568704529 /nfs/dbraw/zinc/70/45/29/568704529.db2.gz PGWPNFPVADNRNI-GOSISDBHSA-N 2 2 448.596 4.160 40 0 IIABLP FC(F)(F)Oc1cccc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CCCC3)[nH+]2)c1 ZINC000329071624 568811182 /nfs/dbraw/zinc/81/11/82/568811182.db2.gz ZRVWASNZYYODAJ-UHFFFAOYSA-N 2 2 449.521 4.042 40 0 IIABLP Cc1cc(Nc2nccs2)cc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)n(C)c(=O)n4C)C2)[nH+]1 ZINC000257285396 568704484 /nfs/dbraw/zinc/70/44/84/568704484.db2.gz PGWPNFPVADNRNI-SFHVURJKSA-N 2 2 448.596 4.160 40 0 IIABLP Cc1cc(Nc2nccs2)cc([C@H]2CCC[N@H+](Cc3ccc4c(c3)n(C)c(=O)n4C)C2)[nH+]1 ZINC000257285396 568704487 /nfs/dbraw/zinc/70/44/87/568704487.db2.gz PGWPNFPVADNRNI-SFHVURJKSA-N 2 2 448.596 4.160 40 0 IIABLP CC[NH+](CC)CCCNc1nc(-c2ccncc2)nc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000057743631 557258055 /nfs/dbraw/zinc/25/80/55/557258055.db2.gz NKQKLFUMHALCPP-UHFFFAOYSA-N 2 2 448.590 4.380 40 0 IIABLP CC[NH+](CC)CCCNc1nc(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000057743631 557258064 /nfs/dbraw/zinc/25/80/64/557258064.db2.gz NKQKLFUMHALCPP-UHFFFAOYSA-N 2 2 448.590 4.380 40 0 IIABLP Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4n[nH]c5c4CCCCC5)CCO3)c2)[nH+]1 ZINC000257305911 568713867 /nfs/dbraw/zinc/71/38/67/568713867.db2.gz SSAYZIURHGNANX-QFIPXVFZSA-N 2 2 446.555 4.043 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)[NH+](C)C1 ZINC000248156528 569207444 /nfs/dbraw/zinc/20/74/44/569207444.db2.gz VXNUDOAHEVKNRV-KPLVRAHFSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)[NH+](C)C1 ZINC000248156528 569207445 /nfs/dbraw/zinc/20/74/45/569207445.db2.gz VXNUDOAHEVKNRV-KPLVRAHFSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[NH+](Cc3cccc(F)c3F)C2)[N@H+](C)C1 ZINC000248156528 569207446 /nfs/dbraw/zinc/20/74/46/569207446.db2.gz VXNUDOAHEVKNRV-KPLVRAHFSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[NH+](Cc3cccc(F)c3F)C2)[N@@H+](C)C1 ZINC000248156528 569207447 /nfs/dbraw/zinc/20/74/47/569207447.db2.gz VXNUDOAHEVKNRV-KPLVRAHFSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)[NH+](C)C1 ZINC000019587522 569227313 /nfs/dbraw/zinc/22/73/13/569227313.db2.gz UVHMCUBZXAOWPH-BOCKYXSRSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)[NH+](C)C1 ZINC000019587522 569227314 /nfs/dbraw/zinc/22/73/14/569227314.db2.gz UVHMCUBZXAOWPH-BOCKYXSRSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[NH+](Cc3cc(F)ccc3F)C2)[N@H+](C)C1 ZINC000019587522 569227316 /nfs/dbraw/zinc/22/73/16/569227316.db2.gz UVHMCUBZXAOWPH-BOCKYXSRSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[NH+](Cc3cc(F)ccc3F)C2)[N@@H+](C)C1 ZINC000019587522 569227318 /nfs/dbraw/zinc/22/73/18/569227318.db2.gz UVHMCUBZXAOWPH-BOCKYXSRSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C(C)(C)C)nn32)cc1C[NH+](C)C ZINC000019084277 556698532 /nfs/dbraw/zinc/69/85/32/556698532.db2.gz CCRRAMXRVQQWFX-PZJWPPBQSA-N 2 2 433.600 4.359 40 0 IIABLP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C(C)(C)C)nn32)cc1C[NH+](C)C ZINC000019084277 556698535 /nfs/dbraw/zinc/69/85/35/556698535.db2.gz CCRRAMXRVQQWFX-PZJWPPBQSA-N 2 2 433.600 4.359 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)[NH+](C)C1 ZINC000019587527 557501202 /nfs/dbraw/zinc/50/12/02/557501202.db2.gz UVHMCUBZXAOWPH-LYHRCORUSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)[NH+](C)C1 ZINC000019587527 557501205 /nfs/dbraw/zinc/50/12/05/557501205.db2.gz UVHMCUBZXAOWPH-LYHRCORUSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[NH+](Cc3cc(F)ccc3F)C2)[N@H+](C)C1 ZINC000019587527 557501208 /nfs/dbraw/zinc/50/12/08/557501208.db2.gz UVHMCUBZXAOWPH-LYHRCORUSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[NH+](Cc3cc(F)ccc3F)C2)[N@@H+](C)C1 ZINC000019587527 557501210 /nfs/dbraw/zinc/50/12/10/557501210.db2.gz UVHMCUBZXAOWPH-LYHRCORUSA-N 2 2 443.538 4.144 40 0 IIABLP Cc1[nH+]c2ccccc2n1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257294801 568708864 /nfs/dbraw/zinc/70/88/64/568708864.db2.gz QVUHRRYRSJPKIB-FKAUUQQGSA-N 2 2 442.607 4.478 40 0 IIABLP Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257338158 568727842 /nfs/dbraw/zinc/72/78/42/568727842.db2.gz YWENRNCCOKJGFL-SFHVURJKSA-N 2 2 446.580 4.495 40 0 IIABLP Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3cccc(OCCn4cc[nH+]c4)c3)CC2)c(C)c1 ZINC000585270247 557214136 /nfs/dbraw/zinc/21/41/36/557214136.db2.gz ASRBXFXOSPGLAA-MHZLTWQESA-N 2 2 449.595 4.375 40 0 IIABLP Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3cccc(OCCn4cc[nH+]c4)c3)CC2)c(C)c1 ZINC000585270247 557214142 /nfs/dbraw/zinc/21/41/42/557214142.db2.gz ASRBXFXOSPGLAA-MHZLTWQESA-N 2 2 449.595 4.375 40 0 IIABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1Cl ZINC000023471972 557315040 /nfs/dbraw/zinc/31/50/40/557315040.db2.gz XYEXIZMOJFVGHI-OAHLLOKOSA-N 2 2 427.372 4.031 40 0 IIABLP CCCN1CC[N@H+](Cc2[nH]c(CC)[nH+]c2C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257244829 568686167 /nfs/dbraw/zinc/68/61/67/568686167.db2.gz IMZXXNGPQFEQOQ-QHCPKHFHSA-N 2 2 445.611 4.256 40 0 IIABLP CCCN1CC[N@@H+](Cc2[nH]c(CC)[nH+]c2C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257244829 568686169 /nfs/dbraw/zinc/68/61/69/568686169.db2.gz IMZXXNGPQFEQOQ-QHCPKHFHSA-N 2 2 445.611 4.256 40 0 IIABLP CCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(-c4ccc(N)[nH+]c4)cn3)C2)c2ccc(F)cc21 ZINC000019693548 569228925 /nfs/dbraw/zinc/22/89/25/569228925.db2.gz MFRJGVSAZYGAAP-XMMPIXPASA-N 2 2 431.515 4.413 40 0 IIABLP CCn1cc(C[N@H+]2CCO[C@@H](c3ccc(-c4ccc(N)[nH+]c4)cn3)C2)c2ccc(F)cc21 ZINC000019693548 569228926 /nfs/dbraw/zinc/22/89/26/569228926.db2.gz MFRJGVSAZYGAAP-XMMPIXPASA-N 2 2 431.515 4.413 40 0 IIABLP CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+](C)Cc2ccccc2)c1 ZINC000067870699 291384085 /nfs/dbraw/zinc/38/40/85/291384085.db2.gz VICWOGQELNUADA-QNWVGRARSA-N 2 2 438.641 4.372 40 0 biogenic,in-vitro IIABLP CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+](C)Cc2ccccc2)c1 ZINC000067870699 291384087 /nfs/dbraw/zinc/38/40/87/291384087.db2.gz VICWOGQELNUADA-QNWVGRARSA-N 2 2 438.641 4.372 40 0 biogenic,in-vitro IIABLP CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C[N@H+](C)Cc2ccccc2)c1 ZINC000067870699 291384091 /nfs/dbraw/zinc/38/40/91/291384091.db2.gz VICWOGQELNUADA-QNWVGRARSA-N 2 2 438.641 4.372 40 0 biogenic,in-vitro IIABLP CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C[N@@H+](C)Cc2ccccc2)c1 ZINC000067870699 291384095 /nfs/dbraw/zinc/38/40/95/291384095.db2.gz VICWOGQELNUADA-QNWVGRARSA-N 2 2 438.641 4.372 40 0 biogenic,in-vitro IIABLP Cc1ccc(OCC2(O)CC[NH+](Cc3cccc(OCCCn4cc[nH+]c4)c3)CC2)cc1 ZINC000257325926 556704923 /nfs/dbraw/zinc/70/49/23/556704923.db2.gz WVAXXEFEVWGOJM-UHFFFAOYSA-N 2 2 435.568 4.067 40 0 IIABLP Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@H+](CC(=O)N3CCCc4ccccc43)C2)[nH+]1 ZINC000072374855 556949081 /nfs/dbraw/zinc/94/90/81/556949081.db2.gz WVUMFLCWOGUHHS-OAQYLSRUSA-N 2 2 442.567 4.082 40 0 IIABLP Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+](CC(=O)N3CCCc4ccccc43)C2)[nH+]1 ZINC000072374855 556949084 /nfs/dbraw/zinc/94/90/84/556949084.db2.gz WVUMFLCWOGUHHS-OAQYLSRUSA-N 2 2 442.567 4.082 40 0 IIABLP CC[NH+](CC)CCCNc1nc(-c2cccnc2)nc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000057743650 557258090 /nfs/dbraw/zinc/25/80/90/557258090.db2.gz PYVKWLAPNYUFLY-UHFFFAOYSA-N 2 2 448.590 4.380 40 0 IIABLP CC[NH+](CC)CCCNc1nc(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000057743650 557258095 /nfs/dbraw/zinc/25/80/95/557258095.db2.gz PYVKWLAPNYUFLY-UHFFFAOYSA-N 2 2 448.590 4.380 40 0 IIABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CCCn2c(C)[nH+]c3ccccc32)n1 ZINC000257208676 568669142 /nfs/dbraw/zinc/66/91/42/568669142.db2.gz BNDSRMALSFVXLB-HSZRJFAPSA-N 2 2 428.540 4.378 40 0 IIABLP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC000225463266 291381387 /nfs/dbraw/zinc/38/13/87/291381387.db2.gz WSTOFZNYBZWZMY-UHFFFAOYSA-N 2 2 427.536 4.487 40 0 biogenic,in-vitro IIABLP COc1ccc(C[NH+]2CCC(O)(c3csc(C[N@@H+]4CCc5ccccc5C4)n3)CC2)cc1 ZINC000225473350 291383384 /nfs/dbraw/zinc/38/33/84/291383384.db2.gz VFARGISFPVFTQS-UHFFFAOYSA-N 2 2 449.620 4.194 40 0 biogenic,in-vitro IIABLP COc1ccc(C[NH+]2CCC(O)(c3csc(C[N@H+]4CCc5ccccc5C4)n3)CC2)cc1 ZINC000225473350 291383388 /nfs/dbraw/zinc/38/33/88/291383388.db2.gz VFARGISFPVFTQS-UHFFFAOYSA-N 2 2 449.620 4.194 40 0 biogenic,in-vitro IIABLP COc1cc(OC)c(OC)cc1C[N@H+](Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013992704 557400726 /nfs/dbraw/zinc/40/07/26/557400726.db2.gz FSKPMIFDMDUVJZ-UHFFFAOYSA-N 2 2 427.589 4.419 40 0 IIABLP COc1cc(OC)c(OC)cc1C[N@@H+](Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013992704 557400729 /nfs/dbraw/zinc/40/07/29/557400729.db2.gz FSKPMIFDMDUVJZ-UHFFFAOYSA-N 2 2 427.589 4.419 40 0 IIABLP COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000257202136 568666018 /nfs/dbraw/zinc/66/60/18/568666018.db2.gz AKQFAALKVUYOJB-LPPUWEFUSA-N 2 2 448.567 4.187 40 0 IIABLP Cc1cc(Nc2ncccn2)cc(C2CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)[nH+]1 ZINC000257316626 568718177 /nfs/dbraw/zinc/71/81/77/568718177.db2.gz VGJJEBOMMXQKPU-UHFFFAOYSA-N 2 2 442.567 4.082 40 0 IIABLP Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)[nH+]1 ZINC000257326841 568723155 /nfs/dbraw/zinc/72/31/55/568723155.db2.gz WYUZNGGWVNEUOB-LJQANCHMSA-N 2 2 433.531 4.164 40 0 IIABLP Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)[nH+]1 ZINC000257326841 568723156 /nfs/dbraw/zinc/72/31/56/568723156.db2.gz WYUZNGGWVNEUOB-LJQANCHMSA-N 2 2 433.531 4.164 40 0 IIABLP FC(F)(F)c1cc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000228937032 569182303 /nfs/dbraw/zinc/18/23/03/569182303.db2.gz VETOISYYAJELNL-UHFFFAOYSA-N 2 2 444.383 4.401 40 0 IIABLP C[NH+](C)CC(C)(C)CNc1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000012186083 524046666 /nfs/dbraw/zinc/04/66/66/524046666.db2.gz XNJHWLUHFITRKZ-UHFFFAOYSA-N 2 2 448.590 4.236 40 0 IIABLP C[NH+](C)CC(C)(C)CNc1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000012186083 524046668 /nfs/dbraw/zinc/04/66/68/524046668.db2.gz XNJHWLUHFITRKZ-UHFFFAOYSA-N 2 2 448.590 4.236 40 0 IIABLP COc1cc(OC)c(OC)cc1C[N@H+](Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019461027 556767562 /nfs/dbraw/zinc/76/75/62/556767562.db2.gz IDRIIGCQIICRSA-UHFFFAOYSA-N 2 2 427.589 4.419 40 0 IIABLP COc1cc(OC)c(OC)cc1C[N@@H+](Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019461027 556767563 /nfs/dbraw/zinc/76/75/63/556767563.db2.gz IDRIIGCQIICRSA-UHFFFAOYSA-N 2 2 427.589 4.419 40 0 IIABLP Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cc(Nc3[nH+]cccc3C)cc(C)[nH+]2)C1 ZINC000072375029 556950060 /nfs/dbraw/zinc/95/00/60/556950060.db2.gz FANIWSDOOZTNAE-GOSISDBHSA-N 2 2 441.557 4.010 40 0 IIABLP CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCC[NH+]2CCOCC2)cc1 ZINC000024102743 568860658 /nfs/dbraw/zinc/86/06/58/568860658.db2.gz CUZJAIZGGSUTGS-UHFFFAOYSA-N 2 2 443.551 4.230 40 0 IIABLP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc4cc(C(C)(C)C)nn4c2C3)cc1C[NH+](C)C ZINC000036719068 524043373 /nfs/dbraw/zinc/04/33/73/524043373.db2.gz CCRRAMXRVQQWFX-CTNGQTDRSA-N 2 2 433.600 4.359 40 0 IIABLP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2c2cnc4cc(C(C)(C)C)nn4c2C3)cc1C[NH+](C)C ZINC000036719068 524043378 /nfs/dbraw/zinc/04/33/78/524043378.db2.gz CCRRAMXRVQQWFX-CTNGQTDRSA-N 2 2 433.600 4.359 40 0 IIABLP COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@H]2c2ccc(Nc3[nH+]cccc3C)cn2)c1 ZINC000072353236 556926080 /nfs/dbraw/zinc/92/60/80/556926080.db2.gz RWCBHOUINZRUQN-DEOSSOPVSA-N 2 2 445.567 4.333 40 0 IIABLP COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@H]2c2ccc(Nc3[nH+]cccc3C)cn2)c1 ZINC000072353236 556926083 /nfs/dbraw/zinc/92/60/83/556926083.db2.gz RWCBHOUINZRUQN-DEOSSOPVSA-N 2 2 445.567 4.333 40 0 IIABLP COCCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)cn1 ZINC000072375037 556950421 /nfs/dbraw/zinc/95/04/21/556950421.db2.gz VTHOUXAQCHNVKO-OAQYLSRUSA-N 2 2 432.572 4.196 40 0 IIABLP COCCc1ncc(C[N@H+]2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)cn1 ZINC000072375037 556950425 /nfs/dbraw/zinc/95/04/25/556950425.db2.gz VTHOUXAQCHNVKO-OAQYLSRUSA-N 2 2 432.572 4.196 40 0 IIABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)cc1Cl ZINC000023471987 557314867 /nfs/dbraw/zinc/31/48/67/557314867.db2.gz LQFNYGWVIFBHJM-OAHLLOKOSA-N 2 2 427.372 4.031 40 0 IIABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)cc1Cl ZINC000023471988 557315016 /nfs/dbraw/zinc/31/50/16/557315016.db2.gz LQFNYGWVIFBHJM-HNNXBMFYSA-N 2 2 427.372 4.031 40 0 IIABLP Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)[nH+]1 ZINC000257233363 568680656 /nfs/dbraw/zinc/68/06/56/568680656.db2.gz GOYLFLJZCVCQJQ-IBGZPJMESA-N 2 2 433.531 4.164 40 0 IIABLP Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)[nH+]1 ZINC000257233363 568680657 /nfs/dbraw/zinc/68/06/57/568680657.db2.gz GOYLFLJZCVCQJQ-IBGZPJMESA-N 2 2 433.531 4.164 40 0 IIABLP COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329040809 568810162 /nfs/dbraw/zinc/81/01/62/568810162.db2.gz SGAFWJRVKHVJPG-UHFFFAOYSA-N 2 2 445.489 4.122 40 0 IIABLP Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@H+](CC(=O)Nc4ccccc4F)C3)c2)n1 ZINC000072374869 556949458 /nfs/dbraw/zinc/94/94/58/556949458.db2.gz WZNCZNWOPUNTPS-LJQANCHMSA-N 2 2 448.546 4.498 40 0 IIABLP Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@@H+](CC(=O)Nc4ccccc4F)C3)c2)n1 ZINC000072374869 556949459 /nfs/dbraw/zinc/94/94/59/556949459.db2.gz WZNCZNWOPUNTPS-LJQANCHMSA-N 2 2 448.546 4.498 40 0 IIABLP CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2cc(Nc3[nH+]cccc3C)cc(C)[nH+]2)C1 ZINC000072374954 556949651 /nfs/dbraw/zinc/94/96/51/556949651.db2.gz ANZPKEMTABBXLV-HXUWFJFHSA-N 3 2 432.572 4.392 40 0 IIABLP COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3cc(Nc4ncccn4)cc(C)[nH+]3)C1)OCCO2 ZINC000072375040 556950345 /nfs/dbraw/zinc/95/03/45/556950345.db2.gz MLCYNJKNOIMBTA-SFHVURJKSA-N 2 2 447.539 4.083 40 0 IIABLP COc1cc2c(cc1C[N@H+]1CCC[C@H](c3cc(Nc4ncccn4)cc(C)[nH+]3)C1)OCCO2 ZINC000072375040 556950350 /nfs/dbraw/zinc/95/03/50/556950350.db2.gz MLCYNJKNOIMBTA-SFHVURJKSA-N 2 2 447.539 4.083 40 0 IIABLP COCCc1ncc(C[N@@H+]2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)cn1 ZINC000072375038 556950506 /nfs/dbraw/zinc/95/05/06/556950506.db2.gz VTHOUXAQCHNVKO-NRFANRHFSA-N 2 2 432.572 4.196 40 0 IIABLP COCCc1ncc(C[N@H+]2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)cn1 ZINC000072375038 556950509 /nfs/dbraw/zinc/95/05/09/556950509.db2.gz VTHOUXAQCHNVKO-NRFANRHFSA-N 2 2 432.572 4.196 40 0 IIABLP C[N@@H+]1C[C@H](c2ccccc2)[C@H]2C[NH+](CC(=O)NC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000585262117 557200977 /nfs/dbraw/zinc/20/09/77/557200977.db2.gz RROSPDAVBWWIFA-ZONZVBGPSA-N 2 2 439.603 4.312 40 0 IIABLP C[N@H+]1C[C@H](c2ccccc2)[C@H]2C[NH+](CC(=O)NC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000585262117 557200978 /nfs/dbraw/zinc/20/09/78/557200978.db2.gz RROSPDAVBWWIFA-ZONZVBGPSA-N 2 2 439.603 4.312 40 0 IIABLP C[NH+]1C[C@H](c2ccccc2)[C@H]2C[N@H+](CC(=O)NC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000585262117 557200980 /nfs/dbraw/zinc/20/09/80/557200980.db2.gz RROSPDAVBWWIFA-ZONZVBGPSA-N 2 2 439.603 4.312 40 0 IIABLP C[NH+]1C[C@H](c2ccccc2)[C@H]2C[N@@H+](CC(=O)NC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000585262117 557200981 /nfs/dbraw/zinc/20/09/81/557200981.db2.gz RROSPDAVBWWIFA-ZONZVBGPSA-N 2 2 439.603 4.312 40 0 IIABLP Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3cccc(OCCn4cc[nH+]c4)c3)CC2)cc1 ZINC000585270396 557214269 /nfs/dbraw/zinc/21/42/69/557214269.db2.gz CHRLZKUZDUBACY-SANMLTNESA-N 2 2 435.568 4.067 40 0 IIABLP Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3cccc(OCCn4cc[nH+]c4)c3)CC2)cc1 ZINC000585270396 557214271 /nfs/dbraw/zinc/21/42/71/557214271.db2.gz CHRLZKUZDUBACY-SANMLTNESA-N 2 2 435.568 4.067 40 0 IIABLP CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCCC2)Cc2cn(Cc3[nH+]ccn3C)c3cccc1c23 ZINC000049171756 291379523 /nfs/dbraw/zinc/37/95/23/291379523.db2.gz CSRQEGMPHPPADK-VXKWHMMOSA-N 2 2 433.600 4.083 40 0 biogenic,in-vitro IIABLP Cn1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)c2ccccc21 ZINC000035425794 527201515 /nfs/dbraw/zinc/20/15/15/527201515.db2.gz GLULTRKAVJWAAH-NRFANRHFSA-N 2 2 425.496 4.146 40 0 biogenic,in-vitro IIABLP Cn1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)c2ccccc21 ZINC000035425794 527201521 /nfs/dbraw/zinc/20/15/21/527201521.db2.gz GLULTRKAVJWAAH-NRFANRHFSA-N 2 2 425.496 4.146 40 0 biogenic,in-vitro IIABLP Cc1nc(NCc2ccccc2F)cc(CC2CC[NH+](Cc3cccnc3N(C)C)CC2)[nH+]1 ZINC000019758950 556902613 /nfs/dbraw/zinc/90/26/13/556902613.db2.gz UKQUJLCSJSCXKF-UHFFFAOYSA-N 2 2 448.590 4.452 40 0 IIABLP Cc1nc(NC(=O)C[NH+]2CCC(Cc3cc(NC4CCCC4)nc(C)[nH+]3)CC2)sc1C ZINC000072352111 556923008 /nfs/dbraw/zinc/92/30/08/556923008.db2.gz TUHVMUMDLODHGQ-UHFFFAOYSA-N 2 2 442.633 4.106 40 0 IIABLP CC[NH+](CC)CCCNc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccccc1F)CC2 ZINC000057743694 557258266 /nfs/dbraw/zinc/25/82/66/557258266.db2.gz ZAVDJQJLRYKXOV-UHFFFAOYSA-N 2 2 448.590 4.380 40 0 IIABLP CC[NH+](CC)CCCNc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccccc1F)CC2 ZINC000057743694 557258269 /nfs/dbraw/zinc/25/82/69/557258269.db2.gz ZAVDJQJLRYKXOV-UHFFFAOYSA-N 2 2 448.590 4.380 40 0 IIABLP COc1cc(C[N@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC ZINC000013992647 557400789 /nfs/dbraw/zinc/40/07/89/557400789.db2.gz RFXZXIHBHCVAMY-UHFFFAOYSA-N 2 2 427.589 4.419 40 0 IIABLP COc1cc(C[N@@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC ZINC000013992647 557400792 /nfs/dbraw/zinc/40/07/92/557400792.db2.gz RFXZXIHBHCVAMY-UHFFFAOYSA-N 2 2 427.589 4.419 40 0 IIABLP Cc1noc(C)c1S(=O)(=O)N1CCC(c2cc(Nc3cccc(C)[nH+]3)cc(C)[nH+]2)CC1 ZINC000257208629 568669193 /nfs/dbraw/zinc/66/91/93/568669193.db2.gz BMXFXPNYWRBCLT-UHFFFAOYSA-N 2 2 441.557 4.010 40 0 IIABLP COc1c(C)cccc1C(=O)N1CCO[C@H](c2cc(Nc3cccc(C)[nH+]3)cc(C)[nH+]2)C1 ZINC000257242900 568684972 /nfs/dbraw/zinc/68/49/72/568684972.db2.gz IEQUANACONZSRS-QFIPXVFZSA-N 2 2 432.524 4.368 40 0 IIABLP Cc1nc(NC(=O)C[NH+]2CCC(c3cc(Nc4ccccn4)cc(C)[nH+]3)CC2)sc1C ZINC000257295510 568709135 /nfs/dbraw/zinc/70/91/35/568709135.db2.gz QYPBJHLJOVPQKD-UHFFFAOYSA-N 2 2 436.585 4.420 40 0 IIABLP Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4n[nH]c5c4CCCCC5)CCO3)c2)[nH+]1 ZINC000257305910 568713892 /nfs/dbraw/zinc/71/38/92/568713892.db2.gz SSAYZIURHGNANX-JOCHJYFZSA-N 2 2 446.555 4.043 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)[NH+](C)C1 ZINC000248152703 569207303 /nfs/dbraw/zinc/20/73/03/569207303.db2.gz UVHMCUBZXAOWPH-GEQKSPFYSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)[NH+](C)C1 ZINC000248152703 569207304 /nfs/dbraw/zinc/20/73/04/569207304.db2.gz UVHMCUBZXAOWPH-GEQKSPFYSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[NH+](Cc3cc(F)ccc3F)C2)[N@H+](C)C1 ZINC000248152703 569207305 /nfs/dbraw/zinc/20/73/05/569207305.db2.gz UVHMCUBZXAOWPH-GEQKSPFYSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[NH+](Cc3cc(F)ccc3F)C2)[N@@H+](C)C1 ZINC000248152703 569207306 /nfs/dbraw/zinc/20/73/06/569207306.db2.gz UVHMCUBZXAOWPH-GEQKSPFYSA-N 2 2 443.538 4.144 40 0 IIABLP CC1(C)[C@H](Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000067890176 291379774 /nfs/dbraw/zinc/37/97/74/291379774.db2.gz LHXUDIRFXPJKTN-RLWLMLJZSA-N 2 2 445.611 4.139 40 0 biogenic,in-vitro IIABLP CC1(C)[C@H](Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)C[C@@H]1[NH2+]Cc1ccncc1 ZINC000067890180 291379796 /nfs/dbraw/zinc/37/97/96/291379796.db2.gz BRONKQZFABCKFN-GJZUVCINSA-N 2 2 445.611 4.139 40 0 biogenic,in-vitro IIABLP CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCC(c2ccc(Nc3cccc(C)[nH+]3)cn2)CC1 ZINC000072374263 556947675 /nfs/dbraw/zinc/94/76/75/556947675.db2.gz DWXJKDITQUJJHO-SFHVURJKSA-N 2 2 432.572 4.330 40 0 IIABLP COc1cc(OC)c(OC)cc1C[N@H+](Cc1cccnc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013992664 557400862 /nfs/dbraw/zinc/40/08/62/557400862.db2.gz CPOMUXGMZVKNLG-UHFFFAOYSA-N 2 2 427.589 4.419 40 0 IIABLP COc1cc(OC)c(OC)cc1C[N@@H+](Cc1cccnc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013992664 557400864 /nfs/dbraw/zinc/40/08/64/557400864.db2.gz CPOMUXGMZVKNLG-UHFFFAOYSA-N 2 2 427.589 4.419 40 0 IIABLP Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)[nH+]1 ZINC000257233364 568680665 /nfs/dbraw/zinc/68/06/65/568680665.db2.gz GOYLFLJZCVCQJQ-LJQANCHMSA-N 2 2 433.531 4.164 40 0 IIABLP Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)[nH+]1 ZINC000257233364 568680666 /nfs/dbraw/zinc/68/06/66/568680666.db2.gz GOYLFLJZCVCQJQ-LJQANCHMSA-N 2 2 433.531 4.164 40 0 IIABLP CCCN1CC[N@H+](Cc2[nH]c(CC)[nH+]c2C)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257271322 568698206 /nfs/dbraw/zinc/69/82/06/568698206.db2.gz MXVMLCOEQFKOLN-QHCPKHFHSA-N 2 2 445.611 4.256 40 0 IIABLP CCCN1CC[N@@H+](Cc2[nH]c(CC)[nH+]c2C)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257271322 568698209 /nfs/dbraw/zinc/69/82/09/568698209.db2.gz MXVMLCOEQFKOLN-QHCPKHFHSA-N 2 2 445.611 4.256 40 0 IIABLP Cc1[nH+]c2ccccc2n1CC(=O)N1[C@@H]2CCC[C@@H]3[N@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257295813 568709340 /nfs/dbraw/zinc/70/93/40/568709340.db2.gz QZZMPDBQHXVQHU-SVNGMSFNSA-N 2 2 442.607 4.430 40 0 IIABLP Cc1[nH+]c2ccccc2n1CC(=O)N1[C@@H]2CCC[C@@H]3[N@@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257295813 568709343 /nfs/dbraw/zinc/70/93/43/568709343.db2.gz QZZMPDBQHXVQHU-SVNGMSFNSA-N 2 2 442.607 4.430 40 0 IIABLP Cc1onc(C(C)C)c1C(=O)N1CCO[C@H](c2cc(Nc3cccc(C)[nH+]3)cc(C)[nH+]2)C1 ZINC000257336417 568727037 /nfs/dbraw/zinc/72/70/37/568727037.db2.gz YOHSPGVIGAHXTD-FQEVSTJZSA-N 2 2 435.528 4.471 40 0 IIABLP O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1 ZINC000067870802 291385476 /nfs/dbraw/zinc/38/54/76/291385476.db2.gz JKAOXIMCAIJEKW-OHSXHVKISA-N 2 2 446.639 4.473 40 0 biogenic,in-vitro IIABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1 ZINC000067870802 291385478 /nfs/dbraw/zinc/38/54/78/291385478.db2.gz JKAOXIMCAIJEKW-OHSXHVKISA-N 2 2 446.639 4.473 40 0 biogenic,in-vitro IIABLP COc1ccc(C[N@@H+]2CCC[C@@H](c3onc4c3C[C@@H](C)CC4)C2)cc1C[NH+]1CCOCC1 ZINC000036718932 524028314 /nfs/dbraw/zinc/02/83/14/524028314.db2.gz DZIGMEBTHRYYKN-PZJWPPBQSA-N 2 2 439.600 4.020 40 0 IIABLP COc1ccc(C[N@H+]2CCC[C@@H](c3onc4c3C[C@@H](C)CC4)C2)cc1C[NH+]1CCOCC1 ZINC000036718932 524028316 /nfs/dbraw/zinc/02/83/16/524028316.db2.gz DZIGMEBTHRYYKN-PZJWPPBQSA-N 2 2 439.600 4.020 40 0 IIABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000023469522 557314702 /nfs/dbraw/zinc/31/47/02/557314702.db2.gz PIHLEJIOOYICGP-ZDUSSCGKSA-N 2 2 447.790 4.294 40 0 IIABLP O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225578008 557746070 /nfs/dbraw/zinc/74/60/70/557746070.db2.gz JGIHXDMBJBEOSY-UHFFFAOYSA-N 2 2 429.967 4.036 40 0 IIABLP Cc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2cc(Nc3cccc(C)[nH+]3)cc(C)[nH+]2)C1 ZINC000257336418 568727230 /nfs/dbraw/zinc/72/72/30/568727230.db2.gz YOHSPGVIGAHXTD-HXUWFJFHSA-N 2 2 435.528 4.471 40 0 IIABLP Clc1cccc(N2CC[NH+](CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC000001664982 132246415 /nfs/dbraw/zinc/24/64/15/132246415.db2.gz WWXDTRQIBDUJET-UHFFFAOYSA-N 2 2 433.427 4.328 40 0 IIABLP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022074100 520712563 /nfs/dbraw/zinc/71/25/63/520712563.db2.gz FHFMBALTNYBUNK-UHFFFAOYSA-N 2 2 436.955 4.269 40 0 IIABLP CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000012116387 523285735 /nfs/dbraw/zinc/28/57/35/523285735.db2.gz WQFGACIQHBKUCU-UHFFFAOYSA-N 2 2 445.611 4.053 40 0 IIABLP OC1(COc2cccc(Cl)c2)CC[NH+](Cc2cccc(OCCn3cc[nH+]c3)c2)CC1 ZINC000585272458 557217326 /nfs/dbraw/zinc/21/73/26/557217326.db2.gz NIWAKFLTSONTSS-UHFFFAOYSA-N 2 2 441.959 4.021 40 0 IIABLP COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCC[N@H+](CC(=O)Nc4cnn(C)c4C)C3)c2)c1 ZINC000257252608 568689836 /nfs/dbraw/zinc/68/98/36/568689836.db2.gz JVKFRESFMWOGPJ-IBGZPJMESA-N 2 2 448.571 4.002 40 0 IIABLP COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCC[N@@H+](CC(=O)Nc4cnn(C)c4C)C3)c2)c1 ZINC000257252608 568689839 /nfs/dbraw/zinc/68/98/39/568689839.db2.gz JVKFRESFMWOGPJ-IBGZPJMESA-N 2 2 448.571 4.002 40 0 IIABLP COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]CC[NH+](C)C)C=C3C)o2)cc1 ZINC000030883211 291383215 /nfs/dbraw/zinc/38/32/15/291383215.db2.gz KIDBTOYAPBICSU-FUDKSRODSA-N 2 2 426.605 4.294 40 0 biogenic,in-vitro IIABLP Cc1[nH+]ccn1Cc1cccc(C(=O)N2CC[N@H+](C)[C@@H](c3ccc(OC(C)C)cc3)C2)c1 ZINC000257248667 568687894 /nfs/dbraw/zinc/68/78/94/568687894.db2.gz JESBUFSHRPMLJB-RUZDIDTESA-N 2 2 432.568 4.156 40 0 IIABLP Cc1[nH+]ccn1Cc1cccc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccc(OC(C)C)cc3)C2)c1 ZINC000257248667 568687895 /nfs/dbraw/zinc/68/78/95/568687895.db2.gz JESBUFSHRPMLJB-RUZDIDTESA-N 2 2 432.568 4.156 40 0 IIABLP COc1ccc([C@H]2C[N@H+](CC(=O)N(c3ccccc3)c3ccccc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257264486 556712991 /nfs/dbraw/zinc/71/29/91/556712991.db2.gz LUOPYVUNXUWFGI-ZONZVBGPSA-N 2 2 441.575 4.437 40 0 IIABLP COc1ccc([C@H]2C[N@@H+](CC(=O)N(c3ccccc3)c3ccccc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257264486 556712993 /nfs/dbraw/zinc/71/29/93/556712993.db2.gz LUOPYVUNXUWFGI-ZONZVBGPSA-N 2 2 441.575 4.437 40 0 IIABLP Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCC[N@H+](CC(=O)Nc4ccccc4F)C3)c2)n1 ZINC000072374870 556949470 /nfs/dbraw/zinc/94/94/70/556949470.db2.gz WZNCZNWOPUNTPS-IBGZPJMESA-N 2 2 448.546 4.498 40 0 IIABLP Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCC[N@@H+](CC(=O)Nc4ccccc4F)C3)c2)n1 ZINC000072374870 556949471 /nfs/dbraw/zinc/94/94/71/556949471.db2.gz WZNCZNWOPUNTPS-IBGZPJMESA-N 2 2 448.546 4.498 40 0 IIABLP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc(Nc4cnccn4)cc(C)[nH+]3)C1)OCCO2 ZINC000072375041 556950564 /nfs/dbraw/zinc/95/05/64/556950564.db2.gz GHRXTEDMFVGWIR-GOSISDBHSA-N 2 2 447.539 4.083 40 0 IIABLP COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3cc(Nc4cnccn4)cc(C)[nH+]3)C1)OCCO2 ZINC000072375041 556950566 /nfs/dbraw/zinc/95/05/66/556950566.db2.gz GHRXTEDMFVGWIR-GOSISDBHSA-N 2 2 447.539 4.083 40 0 IIABLP Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3cccc(OCCn4cc[nH+]c4)c3)CC2)c(C)c1 ZINC000585270241 557214261 /nfs/dbraw/zinc/21/42/61/557214261.db2.gz ASRBXFXOSPGLAA-HHHXNRCGSA-N 2 2 449.595 4.375 40 0 IIABLP Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3cccc(OCCn4cc[nH+]c4)c3)CC2)c(C)c1 ZINC000585270241 557214262 /nfs/dbraw/zinc/21/42/62/557214262.db2.gz ASRBXFXOSPGLAA-HHHXNRCGSA-N 2 2 449.595 4.375 40 0 IIABLP C[C@H](c1ccccc1)[N@H+](CCN1CCN2CCCc3cccc(c32)C1=O)C1CC[NH+](C)CC1 ZINC000057774294 557263994 /nfs/dbraw/zinc/26/39/94/557263994.db2.gz YJNJROXHIONBDN-JOCHJYFZSA-N 2 2 446.639 4.052 40 0 IIABLP C[C@H](c1ccccc1)[N@@H+](CCN1CCN2CCCc3cccc(c32)C1=O)C1CC[NH+](C)CC1 ZINC000057774294 557263996 /nfs/dbraw/zinc/26/39/96/557263996.db2.gz YJNJROXHIONBDN-JOCHJYFZSA-N 2 2 446.639 4.052 40 0 IIABLP Cc1[nH+]c2ccccc2n1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257226029 568676947 /nfs/dbraw/zinc/67/69/47/568676947.db2.gz FIVOLGPEWQJHAE-HHJUPYMQSA-N 2 2 428.580 4.088 40 0 IIABLP COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@H+](CC(=O)Nc4cnn(C)c4C)C3)c2)c1 ZINC000257252609 568689929 /nfs/dbraw/zinc/68/99/29/568689929.db2.gz JVKFRESFMWOGPJ-LJQANCHMSA-N 2 2 448.571 4.002 40 0 IIABLP COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@@H+](CC(=O)Nc4cnn(C)c4C)C3)c2)c1 ZINC000257252609 568689932 /nfs/dbraw/zinc/68/99/32/568689932.db2.gz JVKFRESFMWOGPJ-LJQANCHMSA-N 2 2 448.571 4.002 40 0 IIABLP CCCN1CC[N@H+](Cc2[nH]c(CC)[nH+]c2C)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257271321 568698125 /nfs/dbraw/zinc/69/81/25/568698125.db2.gz MXVMLCOEQFKOLN-HSZRJFAPSA-N 2 2 445.611 4.256 40 0 IIABLP CCCN1CC[N@@H+](Cc2[nH]c(CC)[nH+]c2C)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257271321 568698129 /nfs/dbraw/zinc/69/81/29/568698129.db2.gz MXVMLCOEQFKOLN-HSZRJFAPSA-N 2 2 445.611 4.256 40 0 IIABLP COCCc1ncc(C[N@@H+]2CCC[C@H](c3cc(Nc4nc(C)cs4)cc(C)[nH+]3)C2)cn1 ZINC000257304953 568713544 /nfs/dbraw/zinc/71/35/44/568713544.db2.gz SNWBFVRJGMWBNT-IBGZPJMESA-N 2 2 438.601 4.257 40 0 IIABLP COCCc1ncc(C[N@H+]2CCC[C@H](c3cc(Nc4nc(C)cs4)cc(C)[nH+]3)C2)cn1 ZINC000257304953 568713545 /nfs/dbraw/zinc/71/35/45/568713545.db2.gz SNWBFVRJGMWBNT-IBGZPJMESA-N 2 2 438.601 4.257 40 0 IIABLP COCCc1ncc(C[N@@H+]2CC[C@H](c3cc(Nc4nc(C)c(C)s4)cc(C)[nH+]3)C2)cn1 ZINC000257345057 568730866 /nfs/dbraw/zinc/73/08/66/568730866.db2.gz ZZTUCSGSNYXDQO-IBGZPJMESA-N 2 2 438.601 4.175 40 0 IIABLP COCCc1ncc(C[N@H+]2CC[C@H](c3cc(Nc4nc(C)c(C)s4)cc(C)[nH+]3)C2)cn1 ZINC000257345057 568730868 /nfs/dbraw/zinc/73/08/68/568730868.db2.gz ZZTUCSGSNYXDQO-IBGZPJMESA-N 2 2 438.601 4.175 40 0 IIABLP Cc1c(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)cccc1C(F)(F)F ZINC000329064288 568810801 /nfs/dbraw/zinc/81/08/01/568810801.db2.gz XIQRCPMNZBLLMF-UHFFFAOYSA-N 2 2 429.490 4.422 40 0 IIABLP OC1(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000225473663 291386216 /nfs/dbraw/zinc/38/62/16/291386216.db2.gz GLJVGPZUHAATBX-UHFFFAOYSA-N 2 2 437.584 4.324 40 0 biogenic,in-vitro IIABLP OC1(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000225473663 291386219 /nfs/dbraw/zinc/38/62/19/291386219.db2.gz GLJVGPZUHAATBX-UHFFFAOYSA-N 2 2 437.584 4.324 40 0 biogenic,in-vitro IIABLP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000022074106 522446536 /nfs/dbraw/zinc/44/65/36/522446536.db2.gz UXQLPGQDVAKQPV-UHFFFAOYSA-N 2 2 439.383 4.393 40 0 IIABLP CCc1ncc(C[NH+]2CCC(Cc3cc(NCc4ccccc4F)nc(C)[nH+]3)CC2)cn1 ZINC000019758911 556902554 /nfs/dbraw/zinc/90/25/54/556902554.db2.gz AUEDDJFQTCWSCW-UHFFFAOYSA-N 2 2 434.563 4.343 40 0 IIABLP COCCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(Nc4nc(C)cs4)cc(C)[nH+]3)C2)cn1 ZINC000257304954 568713608 /nfs/dbraw/zinc/71/36/08/568713608.db2.gz SNWBFVRJGMWBNT-LJQANCHMSA-N 2 2 438.601 4.257 40 0 IIABLP COCCc1ncc(C[N@H+]2CCC[C@@H](c3cc(Nc4nc(C)cs4)cc(C)[nH+]3)C2)cn1 ZINC000257304954 568713610 /nfs/dbraw/zinc/71/36/10/568713610.db2.gz SNWBFVRJGMWBNT-LJQANCHMSA-N 2 2 438.601 4.257 40 0 IIABLP Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)[nH+]1 ZINC000257326840 568723111 /nfs/dbraw/zinc/72/31/11/568723111.db2.gz WYUZNGGWVNEUOB-IBGZPJMESA-N 2 2 433.531 4.164 40 0 IIABLP Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)[nH+]1 ZINC000257326840 568723114 /nfs/dbraw/zinc/72/31/14/568723114.db2.gz WYUZNGGWVNEUOB-IBGZPJMESA-N 2 2 433.531 4.164 40 0 IIABLP Cc1cccc(Nc2ccc(C3CC[NH+](Cc4ccc5c(c4)n(C)c(=O)n5C)CC3)nc2)[nH+]1 ZINC000072374310 556947633 /nfs/dbraw/zinc/94/76/33/556947633.db2.gz NFBXPPGNKVOOAF-UHFFFAOYSA-N 2 2 442.567 4.099 40 0 IIABLP Cc1[nH+]c2c(n1CC1CC1)C[N@H+](Cc1cccs1)CC21CCN(c2ncccn2)CC1 ZINC000306133470 568767998 /nfs/dbraw/zinc/76/79/98/568767998.db2.gz MMIBCKBJPSLSNK-UHFFFAOYSA-N 2 2 434.613 4.007 40 0 IIABLP Cc1[nH+]c2c(n1CC1CC1)C[N@@H+](Cc1cccs1)CC21CCN(c2ncccn2)CC1 ZINC000306133470 568767999 /nfs/dbraw/zinc/76/79/99/568767999.db2.gz MMIBCKBJPSLSNK-UHFFFAOYSA-N 2 2 434.613 4.007 40 0 IIABLP CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CCCCC2)Cc2cn(Cc3[nH+]ccn3C)c3cccc1c23 ZINC000049171997 291379569 /nfs/dbraw/zinc/37/95/69/291379569.db2.gz ZPRPZRMPZPBKMC-VXKWHMMOSA-N 2 2 433.600 4.037 40 0 biogenic,in-vitro IIABLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000001370993 556783729 /nfs/dbraw/zinc/78/37/29/556783729.db2.gz YRYSMSMEHRHBQW-UHFFFAOYSA-N 2 2 427.346 4.383 40 0 IIABLP CNC(=O)c1cccc2cc(Oc3cc[nH+]c4cc(OCC5([NH3+])CC5)c(OC)cc43)ccc21 ZINC000077024213 556823941 /nfs/dbraw/zinc/82/39/41/556823941.db2.gz CUDVHEFYRIWYQD-UHFFFAOYSA-N 2 2 443.503 4.419 40 0 investigational IIABLP CCc1ncc(C[NH+]2CCC(Cc3cc(NCc4cccc(OC)c4)nc(C)[nH+]3)CC2)cn1 ZINC000019758876 556902602 /nfs/dbraw/zinc/90/26/02/556902602.db2.gz IXHAVCMXVMMDSZ-UHFFFAOYSA-N 2 2 446.599 4.213 40 0 IIABLP Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(Nc3[nH+]cccc3C)cc(C)[nH+]2)C1 ZINC000072375030 556950147 /nfs/dbraw/zinc/95/01/47/556950147.db2.gz FANIWSDOOZTNAE-SFHVURJKSA-N 2 2 441.557 4.010 40 0 IIABLP Cc1cccc(Nc2cc(C)[nH+]c(C3CCN(C(=O)CCc4csc(N)n4)CC3)c2)[nH+]1 ZINC000257204556 568667279 /nfs/dbraw/zinc/66/72/79/568667279.db2.gz AVDUEFCNRIGANR-UHFFFAOYSA-N 2 2 436.585 4.215 40 0 IIABLP COc1c(C)cccc1C(=O)N1CCO[C@@H](c2cc(Nc3cccc(C)[nH+]3)cc(C)[nH+]2)C1 ZINC000257242899 568684978 /nfs/dbraw/zinc/68/49/78/568684978.db2.gz IEQUANACONZSRS-JOCHJYFZSA-N 2 2 432.524 4.368 40 0 IIABLP Cc1c(Br)cccc1Nc1cc(-c2ccccc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000328989176 568808588 /nfs/dbraw/zinc/80/85/88/568808588.db2.gz IJRCYZPDYASNRP-UHFFFAOYSA-N 2 2 440.389 4.166 40 0 IIABLP COc1ccccc1C[NH+]1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225425165 291383997 /nfs/dbraw/zinc/38/39/97/291383997.db2.gz NTKJVCUAFIZRNQ-UHFFFAOYSA-N 2 2 449.620 4.194 40 0 biogenic,in-vitro IIABLP COc1ccccc1C[NH+]1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225425165 291383999 /nfs/dbraw/zinc/38/39/99/291383999.db2.gz NTKJVCUAFIZRNQ-UHFFFAOYSA-N 2 2 449.620 4.194 40 0 biogenic,in-vitro IIABLP COc1ccc(C[NH2+]C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccc(F)cc3)nn2C)cc1 ZINC000035415800 291383452 /nfs/dbraw/zinc/38/34/52/291383452.db2.gz OOJISISSHTXCPS-FJIJXJHWSA-N 2 2 434.559 4.202 40 0 biogenic,in-vitro IIABLP COc1ccc(C[NH2+]C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccc(F)cc3)nn2C)cc1 ZINC000035415800 291383458 /nfs/dbraw/zinc/38/34/58/291383458.db2.gz OOJISISSHTXCPS-FJIJXJHWSA-N 2 2 434.559 4.202 40 0 biogenic,in-vitro IIABLP O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408710425 556118334 /nfs/dbraw/zinc/11/83/34/556118334.db2.gz YODSISUPGFJBBU-QPJJXVBHSA-N 2 2 438.015 4.410 40 0 IIABLP O=C(CN(c1[nH+]c([C@H]2CCC[NH2+]C2)c2ccccn21)c1cccc(F)c1)NC1CCCC1 ZINC000019399755 556752679 /nfs/dbraw/zinc/75/26/79/556752679.db2.gz HCRSGKWGVDOTCU-SFHVURJKSA-N 2 2 435.547 4.137 40 0 IIABLP COc1cc(C[N@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC ZINC000013992622 557400837 /nfs/dbraw/zinc/40/08/37/557400837.db2.gz VONMRYLYFAIICO-UHFFFAOYSA-N 2 2 427.589 4.419 40 0 IIABLP COc1cc(C[N@@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC ZINC000013992622 557400838 /nfs/dbraw/zinc/40/08/38/557400838.db2.gz VONMRYLYFAIICO-UHFFFAOYSA-N 2 2 427.589 4.419 40 0 IIABLP C[C@@H](c1ccccc1)[N@H+](CCN1CCN2CCCc3cccc(c32)C1=O)C1CC[NH+](C)CC1 ZINC000057774291 557264125 /nfs/dbraw/zinc/26/41/25/557264125.db2.gz YJNJROXHIONBDN-QFIPXVFZSA-N 2 2 446.639 4.052 40 0 IIABLP C[C@@H](c1ccccc1)[N@@H+](CCN1CCN2CCCc3cccc(c32)C1=O)C1CC[NH+](C)CC1 ZINC000057774291 557264127 /nfs/dbraw/zinc/26/41/27/557264127.db2.gz YJNJROXHIONBDN-QFIPXVFZSA-N 2 2 446.639 4.052 40 0 IIABLP COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCC[N@H+](CC(=O)Nc4cc(C)on4)C3)c2)c1 ZINC000257218942 568673820 /nfs/dbraw/zinc/67/38/20/568673820.db2.gz DEYPYWVASNJKFR-SFHVURJKSA-N 2 2 435.528 4.257 40 0 IIABLP COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCC[N@@H+](CC(=O)Nc4cc(C)on4)C3)c2)c1 ZINC000257218942 568673824 /nfs/dbraw/zinc/67/38/24/568673824.db2.gz DEYPYWVASNJKFR-SFHVURJKSA-N 2 2 435.528 4.257 40 0 IIABLP Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329008136 568808975 /nfs/dbraw/zinc/80/89/75/568808975.db2.gz LPYNJSHZWQXYIL-UHFFFAOYSA-N 2 2 429.490 4.422 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)[NH+](C)C1 ZINC000248156537 569207402 /nfs/dbraw/zinc/20/74/02/569207402.db2.gz VXNUDOAHEVKNRV-LRXVAGHRSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)[NH+](C)C1 ZINC000248156537 569207404 /nfs/dbraw/zinc/20/74/04/569207404.db2.gz VXNUDOAHEVKNRV-LRXVAGHRSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[NH+](Cc3cccc(F)c3F)C2)[N@H+](C)C1 ZINC000248156537 569207406 /nfs/dbraw/zinc/20/74/06/569207406.db2.gz VXNUDOAHEVKNRV-LRXVAGHRSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[NH+](Cc3cccc(F)c3F)C2)[N@@H+](C)C1 ZINC000248156537 569207408 /nfs/dbraw/zinc/20/74/08/569207408.db2.gz VXNUDOAHEVKNRV-LRXVAGHRSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)[NH+](C)C1 ZINC000019587543 569227180 /nfs/dbraw/zinc/22/71/80/569227180.db2.gz VXNUDOAHEVKNRV-JUXOCIIHSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)[NH+](C)C1 ZINC000019587543 569227182 /nfs/dbraw/zinc/22/71/82/569227182.db2.gz VXNUDOAHEVKNRV-JUXOCIIHSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[NH+](Cc3cccc(F)c3F)C2)[N@H+](C)C1 ZINC000019587543 569227184 /nfs/dbraw/zinc/22/71/84/569227184.db2.gz VXNUDOAHEVKNRV-JUXOCIIHSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[NH+](Cc3cccc(F)c3F)C2)[N@@H+](C)C1 ZINC000019587543 569227186 /nfs/dbraw/zinc/22/71/86/569227186.db2.gz VXNUDOAHEVKNRV-JUXOCIIHSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@H+](CC(=O)Nc4cnn(C)c4C)C3)c2)cc1 ZINC000072352030 524714111 /nfs/dbraw/zinc/71/41/11/524714111.db2.gz CZQNRCQFHMGXCI-LJQANCHMSA-N 2 2 448.571 4.002 40 0 IIABLP COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@@H+](CC(=O)Nc4cnn(C)c4C)C3)c2)cc1 ZINC000072352030 524714124 /nfs/dbraw/zinc/71/41/24/524714124.db2.gz CZQNRCQFHMGXCI-LJQANCHMSA-N 2 2 448.571 4.002 40 0 IIABLP COc1ccc(C[N@@H+]2CCC[C@@H](c3onc4c3C[C@H](C)CC4)C2)cc1C[NH+]1CCOCC1 ZINC000019497161 556769446 /nfs/dbraw/zinc/76/94/46/556769446.db2.gz DZIGMEBTHRYYKN-TZIWHRDSSA-N 2 2 439.600 4.020 40 0 IIABLP COc1ccc(C[N@H+]2CCC[C@@H](c3onc4c3C[C@H](C)CC4)C2)cc1C[NH+]1CCOCC1 ZINC000019497161 556769450 /nfs/dbraw/zinc/76/94/50/556769450.db2.gz DZIGMEBTHRYYKN-TZIWHRDSSA-N 2 2 439.600 4.020 40 0 IIABLP Cc1ccc2[nH]c(C3CC[NH+](CC(=O)Nc4ccc(Br)cc4)CC3)[nH+]c2c1 ZINC000001358937 556785933 /nfs/dbraw/zinc/78/59/33/556785933.db2.gz MICRCDVERGWOHJ-UHFFFAOYSA-N 2 2 427.346 4.452 40 0 IIABLP COc1cc(C[NH2+]C2(c3ccccc3F)CCCC2)ccc1OCC[NH+]1CCOCC1 ZINC000019550212 556795003 /nfs/dbraw/zinc/79/50/03/556795003.db2.gz XZVLLDGQXOXKPA-UHFFFAOYSA-N 2 2 428.548 4.104 40 0 IIABLP CCn1c[nH+]cc1C[NH+]1CCC2(C[C@@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000072327247 556903978 /nfs/dbraw/zinc/90/39/78/556903978.db2.gz UWDOKVVNCOFTTI-DEOSSOPVSA-N 2 2 437.975 4.423 40 0 IIABLP CCn1c[nH+]cc1C[NH+]1CCC2(C[C@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000072327246 556904049 /nfs/dbraw/zinc/90/40/49/556904049.db2.gz UWDOKVVNCOFTTI-XMMPIXPASA-N 2 2 437.975 4.423 40 0 IIABLP CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc(Nc4ncccn4)cc(C)[nH+]3)C2)cc1CO ZINC000072375049 556950380 /nfs/dbraw/zinc/95/03/80/556950380.db2.gz WNMAPWFQOCEXBU-FQEVSTJZSA-N 2 2 433.556 4.194 40 0 IIABLP CCOc1ccc(C[N@H+]2CCC[C@H](c3cc(Nc4ncccn4)cc(C)[nH+]3)C2)cc1CO ZINC000072375049 556950383 /nfs/dbraw/zinc/95/03/83/556950383.db2.gz WNMAPWFQOCEXBU-FQEVSTJZSA-N 2 2 433.556 4.194 40 0 IIABLP CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000072394073 556965699 /nfs/dbraw/zinc/96/56/99/556965699.db2.gz DZHMNSVQUMSABO-RUZDIDTESA-N 2 2 436.556 4.080 40 0 IIABLP CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000072394073 556965700 /nfs/dbraw/zinc/96/57/00/556965700.db2.gz DZHMNSVQUMSABO-RUZDIDTESA-N 2 2 436.556 4.080 40 0 IIABLP Cc1[nH+]ccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCCn2c3ccccc3[nH+]c2C(C)C)[C@H]1O ZINC000257242567 568684988 /nfs/dbraw/zinc/68/49/88/568684988.db2.gz IDDNUITZICLYTO-CQOQZXRMSA-N 2 2 437.588 4.058 40 0 IIABLP Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257338157 568727859 /nfs/dbraw/zinc/72/78/59/568727859.db2.gz YWENRNCCOKJGFL-GOSISDBHSA-N 2 2 446.580 4.495 40 0 IIABLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000038858064 556626088 /nfs/dbraw/zinc/62/60/88/556626088.db2.gz ZANBCRLBPMGLSS-UHFFFAOYSA-N 2 2 436.559 4.479 40 0 IIABLP COCCNc1[nH+]c(C2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)cc2ccccc21 ZINC000257301913 556717513 /nfs/dbraw/zinc/71/75/13/556717513.db2.gz SAMWGVWXIFWYHR-UHFFFAOYSA-N 2 2 436.531 4.250 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1CC[N@H+](C)[C@H]1[C@H]1CCC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000019590202 556825281 /nfs/dbraw/zinc/82/52/81/556825281.db2.gz IHYHWYSTQPEZRK-GLDPYIMESA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1[C@H]1CCC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000019590202 556825285 /nfs/dbraw/zinc/82/52/85/556825285.db2.gz IHYHWYSTQPEZRK-GLDPYIMESA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1CC[NH+](C)[C@H]1[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019590202 556825288 /nfs/dbraw/zinc/82/52/88/556825288.db2.gz IHYHWYSTQPEZRK-GLDPYIMESA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1CC[NH+](C)[C@H]1[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019590202 556825291 /nfs/dbraw/zinc/82/52/91/556825291.db2.gz IHYHWYSTQPEZRK-GLDPYIMESA-N 2 2 443.538 4.144 40 0 IIABLP COc1cc(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC ZINC000013992682 557400737 /nfs/dbraw/zinc/40/07/37/557400737.db2.gz IZGHRNXBGWLSEE-UHFFFAOYSA-N 2 2 427.589 4.419 40 0 IIABLP COc1cc(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC ZINC000013992682 557400740 /nfs/dbraw/zinc/40/07/40/557400740.db2.gz IZGHRNXBGWLSEE-UHFFFAOYSA-N 2 2 427.589 4.419 40 0 IIABLP COCCc1ncc(C[N@@H+]2CC[C@@H](c3cc(Nc4nc(C)c(C)s4)cc(C)[nH+]3)C2)cn1 ZINC000257345058 568730812 /nfs/dbraw/zinc/73/08/12/568730812.db2.gz ZZTUCSGSNYXDQO-LJQANCHMSA-N 2 2 438.601 4.175 40 0 IIABLP COCCc1ncc(C[N@H+]2CC[C@@H](c3cc(Nc4nc(C)c(C)s4)cc(C)[nH+]3)C2)cn1 ZINC000257345058 568730814 /nfs/dbraw/zinc/73/08/14/568730814.db2.gz ZZTUCSGSNYXDQO-LJQANCHMSA-N 2 2 438.601 4.175 40 0 IIABLP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cs1 ZINC000225463368 291381406 /nfs/dbraw/zinc/38/14/06/291381406.db2.gz AFYNJVZQSBUHKF-UHFFFAOYSA-N 2 2 427.536 4.487 40 0 biogenic,in-vitro IIABLP COc1ccccc1NC(=O)[C@@H]1CC[N@H+](C)[C@H]1[C@@H]1CCC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000019590201 556824921 /nfs/dbraw/zinc/82/49/21/556824921.db2.gz IHYHWYSTQPEZRK-IECBHUPTSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1[C@@H]1CCC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000019590201 556824925 /nfs/dbraw/zinc/82/49/25/556824925.db2.gz IHYHWYSTQPEZRK-IECBHUPTSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1CC[NH+](C)[C@H]1[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019590201 556824927 /nfs/dbraw/zinc/82/49/27/556824927.db2.gz IHYHWYSTQPEZRK-IECBHUPTSA-N 2 2 443.538 4.144 40 0 IIABLP COc1ccccc1NC(=O)[C@@H]1CC[NH+](C)[C@H]1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019590201 556824930 /nfs/dbraw/zinc/82/49/30/556824930.db2.gz IHYHWYSTQPEZRK-IECBHUPTSA-N 2 2 443.538 4.144 40 0 IIABLP CC[NH+](CC)CCCNc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000057743671 557258108 /nfs/dbraw/zinc/25/81/08/557258108.db2.gz PZWUUWLXKQYTCC-UHFFFAOYSA-N 2 2 448.590 4.380 40 0 IIABLP CC[NH+](CC)CCCNc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000057743671 557258112 /nfs/dbraw/zinc/25/81/12/557258112.db2.gz PZWUUWLXKQYTCC-UHFFFAOYSA-N 2 2 448.590 4.380 40 0 IIABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000023469520 557314750 /nfs/dbraw/zinc/31/47/50/557314750.db2.gz PIHLEJIOOYICGP-CYBMUJFWSA-N 2 2 447.790 4.294 40 0 IIABLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225582989 557747089 /nfs/dbraw/zinc/74/70/89/557747089.db2.gz MIQXOOHYZWQZIQ-UHFFFAOYSA-N 2 2 426.923 4.193 40 0 IIABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CCCn2c(C)[nH+]c3ccccc32)n1 ZINC000257208677 568669078 /nfs/dbraw/zinc/66/90/78/568669078.db2.gz BNDSRMALSFVXLB-QHCPKHFHSA-N 2 2 428.540 4.378 40 0 IIABLP CCCN1CC[N@H+](Cc2[nH]c(CC)[nH+]c2C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257244828 568686082 /nfs/dbraw/zinc/68/60/82/568686082.db2.gz IMZXXNGPQFEQOQ-HSZRJFAPSA-N 2 2 445.611 4.256 40 0 IIABLP CCCN1CC[N@@H+](Cc2[nH]c(CC)[nH+]c2C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257244828 568686084 /nfs/dbraw/zinc/68/60/84/568686084.db2.gz IMZXXNGPQFEQOQ-HSZRJFAPSA-N 2 2 445.611 4.256 40 0 IIABLP COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCC[N@H+](CC(=O)Nc4cnn(C)c4C)C3)c2)cc1 ZINC000072352031 524714293 /nfs/dbraw/zinc/71/42/93/524714293.db2.gz CZQNRCQFHMGXCI-IBGZPJMESA-N 2 2 448.571 4.002 40 0 IIABLP COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCC[N@@H+](CC(=O)Nc4cnn(C)c4C)C3)c2)cc1 ZINC000072352031 524714299 /nfs/dbraw/zinc/71/42/99/524714299.db2.gz CZQNRCQFHMGXCI-IBGZPJMESA-N 2 2 448.571 4.002 40 0 IIABLP Cc1[nH+]c2ccccc2n1Cc1cc(NCC2(c3ccc(C)cc3)CCOCC2)nc(N)[nH+]1 ZINC000072373265 556946173 /nfs/dbraw/zinc/94/61/73/556946173.db2.gz IOPYDJVKBDDYMV-UHFFFAOYSA-N 2 2 442.567 4.234 40 0 IIABLP CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2cc(Nc3[nH+]cccc3C)cc(C)[nH+]2)C1 ZINC000072374953 556949844 /nfs/dbraw/zinc/94/98/44/556949844.db2.gz ANZPKEMTABBXLV-FQEVSTJZSA-N 3 2 432.572 4.392 40 0 IIABLP CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccc(C)s1)CCC2 ZINC000096056080 557166936 /nfs/dbraw/zinc/16/69/36/557166936.db2.gz IRMBVABSDVSZPX-RDPSFJRHSA-N 2 2 427.614 4.037 40 0 IIABLP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccc(C)s1)CCC2 ZINC000096056080 557166938 /nfs/dbraw/zinc/16/69/38/557166938.db2.gz IRMBVABSDVSZPX-RDPSFJRHSA-N 2 2 427.614 4.037 40 0 IIABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1ccc(C)s1)CCC2 ZINC000096056080 557166942 /nfs/dbraw/zinc/16/69/42/557166942.db2.gz IRMBVABSDVSZPX-RDPSFJRHSA-N 2 2 427.614 4.037 40 0 IIABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1ccc(C)s1)CCC2 ZINC000096056080 557166944 /nfs/dbraw/zinc/16/69/44/557166944.db2.gz IRMBVABSDVSZPX-RDPSFJRHSA-N 2 2 427.614 4.037 40 0 IIABLP Cc1[nH+]c2ccccc2n1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257226030 568677097 /nfs/dbraw/zinc/67/70/97/568677097.db2.gz FIVOLGPEWQJHAE-VPYYATKVSA-N 2 2 428.580 4.088 40 0 IIABLP COCCc1ncc(C[NH+]2CCC(c3cc(Nc4cccc(C)[nH+]4)cc(C)[nH+]3)CC2)cn1 ZINC000257232746 568680405 /nfs/dbraw/zinc/68/04/05/568680405.db2.gz GMFHTVMDGXVABA-UHFFFAOYSA-N 3 2 432.572 4.196 40 0 IIABLP Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H](Cc3cccn4cc[nH+]c34)CC2)c1 ZINC000257239745 568683841 /nfs/dbraw/zinc/68/38/41/568683841.db2.gz HQPZXHHOLPHATD-OAQYLSRUSA-N 2 2 427.552 4.373 40 0 IIABLP Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@H](Cc2cccn3cc[nH+]c23)CC1 ZINC000257340340 568728707 /nfs/dbraw/zinc/72/87/07/568728707.db2.gz ZFPCLPAEUJKNMU-OAQYLSRUSA-N 2 2 427.552 4.373 40 0 IIABLP Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329052613 568810560 /nfs/dbraw/zinc/81/05/60/568810560.db2.gz VCXAXMCHIXZBFE-UHFFFAOYSA-N 2 2 429.490 4.422 40 0 IIABLP