smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H](O)CC)CC2)CC1 ZINC000181722027 396241636 /nfs/dbraw/zinc/24/16/36/396241636.db2.gz RKOIGZNCCGJRMQ-MRXNPFEDSA-N 2 1 324.469 0.735 10 30 DCEEMP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593729501 397434322 /nfs/dbraw/zinc/43/43/22/397434322.db2.gz GJLCKLHNMPKROE-MCIONIFRSA-N 2 1 324.425 0.359 10 30 DCEEMP C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261958161 526347087 /nfs/dbraw/zinc/34/70/87/526347087.db2.gz JIQMBAVOOAJTAI-CHWSQXEVSA-N 2 1 311.474 0.795 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261933389 526370312 /nfs/dbraw/zinc/37/03/12/526370312.db2.gz LUVBNWAYLDYAFZ-AWEZNQCLSA-N 2 1 323.485 0.987 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262814730 526370619 /nfs/dbraw/zinc/37/06/19/526370619.db2.gz WKWIXBFGMJPNFR-PMPSAXMXSA-N 2 1 324.469 0.377 10 30 DCEEMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261953210 526382020 /nfs/dbraw/zinc/38/20/20/526382020.db2.gz HYIAPVUZMWSTGM-DGCLKSJQSA-N 2 1 321.425 0.772 10 30 DCEEMP CC[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CCN(C(C)=O)CC1 ZINC000263275818 528805045 /nfs/dbraw/zinc/80/50/45/528805045.db2.gz YJTREIVYTWELTB-HNNXBMFYSA-N 2 1 323.485 0.990 10 30 DCEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303875553 685207149 /nfs/dbraw/zinc/20/71/49/685207149.db2.gz DMSGQPYVVKDAAU-HNNXBMFYSA-N 3 1 311.474 0.487 10 30 DCEEMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCN1CCOCC1 ZINC000303875553 685207151 /nfs/dbraw/zinc/20/71/51/685207151.db2.gz DMSGQPYVVKDAAU-HNNXBMFYSA-N 2 1 311.474 0.487 10 30 DCEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCN1CCOCC1 ZINC000303875553 685207157 /nfs/dbraw/zinc/20/71/57/685207157.db2.gz DMSGQPYVVKDAAU-HNNXBMFYSA-N 2 1 311.474 0.487 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+]1CCOC ZINC000303973006 685209602 /nfs/dbraw/zinc/20/96/02/685209602.db2.gz GICMZCGWBWQPCQ-HUUCEWRRSA-N 3 1 311.474 0.486 10 30 DCEEMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000303973006 685209607 /nfs/dbraw/zinc/20/96/07/685209607.db2.gz GICMZCGWBWQPCQ-HUUCEWRRSA-N 3 1 311.474 0.486 10 30 DCEEMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCOC ZINC000303973006 685209612 /nfs/dbraw/zinc/20/96/12/685209612.db2.gz GICMZCGWBWQPCQ-HUUCEWRRSA-N 3 1 311.474 0.486 10 30 DCEEMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN1CCOC ZINC000303973006 685209616 /nfs/dbraw/zinc/20/96/16/685209616.db2.gz GICMZCGWBWQPCQ-HUUCEWRRSA-N 2 1 311.474 0.486 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN1CCOC ZINC000303973006 685209620 /nfs/dbraw/zinc/20/96/20/685209620.db2.gz GICMZCGWBWQPCQ-HUUCEWRRSA-N 2 1 311.474 0.486 10 30 DCEEMP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593729506 397434300 /nfs/dbraw/zinc/43/43/00/397434300.db2.gz GJLCKLHNMPKROE-MJBXVCDLSA-N 2 1 324.425 0.359 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261933763 526371668 /nfs/dbraw/zinc/37/16/68/526371668.db2.gz BZAKEKXHKLDKGK-LBPRGKRZSA-N 2 1 316.471 0.023 10 30 DCEEMP C[NH+]=C(NCc1noc(C)n1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261855315 526393676 /nfs/dbraw/zinc/39/36/76/526393676.db2.gz XSYYCLNTMFLXQT-ZDUSSCGKSA-N 2 1 322.413 0.108 10 30 DCEEMP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+]1CCCC[C@H]1C ZINC000303902344 685208394 /nfs/dbraw/zinc/20/83/94/685208394.db2.gz TWDKOAVJSGMAPD-OAHLLOKOSA-N 2 1 311.474 0.358 10 30 DCEEMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863391 415634895 /nfs/dbraw/zinc/63/48/95/415634895.db2.gz MZHOSBGJWXWKLJ-OAHLLOKOSA-N 2 1 317.437 0.417 10 30 DCEEMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)NCC1(C(=O)N(C)C)CCCC1 ZINC000262341010 526377432 /nfs/dbraw/zinc/37/74/32/526377432.db2.gz AIPVTKPYCRMMQC-CQSZACIVSA-N 2 1 323.485 0.894 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000246874133 416332381 /nfs/dbraw/zinc/33/23/81/416332381.db2.gz WFAJIAZGELEBSD-GJZGRUSLSA-N 2 1 307.438 0.245 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000246874133 416332382 /nfs/dbraw/zinc/33/23/82/416332382.db2.gz WFAJIAZGELEBSD-GJZGRUSLSA-N 2 1 307.438 0.245 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261840599 278167871 /nfs/dbraw/zinc/16/78/71/278167871.db2.gz WOCQWGSGHVEGOE-YOEHRIQHSA-N 2 1 321.469 0.648 10 30 DCEEMP C[NH+]=C(NCc1cccc(OC)n1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262835461 526383578 /nfs/dbraw/zinc/38/35/78/526383578.db2.gz WEVMXGOJIGTRPY-ZDUSSCGKSA-N 2 1 303.410 0.992 10 30 DCEEMP C[NH+]=C(NCc1cccc(OC)n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262835461 526383583 /nfs/dbraw/zinc/38/35/83/526383583.db2.gz WEVMXGOJIGTRPY-ZDUSSCGKSA-N 2 1 303.410 0.992 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H](N2CCOCC2)C1 ZINC000262480835 528809714 /nfs/dbraw/zinc/80/97/14/528809714.db2.gz RMUODRQTEXIXQW-HOTGVXAUSA-N 2 1 323.485 0.453 10 30 DCEEMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900363 396679290 /nfs/dbraw/zinc/67/92/90/396679290.db2.gz DDIRRECXPJSLCC-CQSZACIVSA-N 2 1 308.426 0.710 10 30 DCEEMP C[C@H](O)C[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000329563093 416177087 /nfs/dbraw/zinc/17/70/87/416177087.db2.gz RXHZHJMZAGVAHO-HNSVSWJLSA-N 2 1 324.469 0.914 10 30 DCEEMP C[C@H](O)C[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000329563093 416177090 /nfs/dbraw/zinc/17/70/90/416177090.db2.gz RXHZHJMZAGVAHO-HNSVSWJLSA-N 2 1 324.469 0.914 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262814728 526370265 /nfs/dbraw/zinc/37/02/65/526370265.db2.gz WKWIXBFGMJPNFR-JYJNAYRXSA-N 2 1 324.469 0.377 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262478047 526370563 /nfs/dbraw/zinc/37/05/63/526370563.db2.gz QQLPRDVRFSADFK-HIFRSBDPSA-N 2 1 304.442 0.879 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000248345621 526371643 /nfs/dbraw/zinc/37/16/43/526371643.db2.gz MZAYHYDLJSHTLP-UONOGXRCSA-N 2 1 304.442 0.737 10 30 DCEEMP C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261862231 526376597 /nfs/dbraw/zinc/37/65/97/526376597.db2.gz ZLNSFKYNDAWNOT-IEBDPFPHSA-N 2 1 308.348 0.557 10 30 DCEEMP C[NH+]=C(NCc1nnc(C)n1C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000261979665 526392090 /nfs/dbraw/zinc/39/20/90/526392090.db2.gz ONVYJPRLSDCCGJ-AGUYFDCRSA-N 2 1 319.457 0.804 10 30 DCEEMP CNC(=O)C(C)(C)CNC(N[C@@H]1CC[N@H+](C2CCCC2)C1)=[NH+]C ZINC000153894170 526412939 /nfs/dbraw/zinc/41/29/39/526412939.db2.gz JHQKQDNNRBJRLN-CYBMUJFWSA-N 2 1 323.485 0.941 10 30 DCEEMP C=CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174876839 526632235 /nfs/dbraw/zinc/63/22/35/526632235.db2.gz IARADPIFXHUMRB-HOTGVXAUSA-N 2 1 308.470 0.779 10 30 DCEEMP C=CCNC(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174876839 526632239 /nfs/dbraw/zinc/63/22/39/526632239.db2.gz IARADPIFXHUMRB-HOTGVXAUSA-N 2 1 308.470 0.779 10 30 DCEEMP COCCNC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303266569 662445926 /nfs/dbraw/zinc/44/59/26/662445926.db2.gz WAVJMYJFFIDOHW-UHFFFAOYSA-N 2 1 306.410 0.570 10 30 DCEEMP C=CCCOCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000120796845 1176941453 /nfs/dbraw/zinc/94/14/53/1176941453.db2.gz AXJWZNCDJDXINF-UHFFFAOYSA-N 2 1 305.426 0.911 10 30 DCEEMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000458315198 397428810 /nfs/dbraw/zinc/42/88/10/397428810.db2.gz FPFSYYMKAGKVDL-HNNXBMFYSA-N 2 1 324.469 0.735 10 30 DCEEMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)CC1 ZINC000458315198 397428813 /nfs/dbraw/zinc/42/88/13/397428813.db2.gz FPFSYYMKAGKVDL-HNNXBMFYSA-N 2 1 324.469 0.735 10 30 DCEEMP C#CCNC(=O)[C@H](C)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863389 415633958 /nfs/dbraw/zinc/63/39/58/415633958.db2.gz MZHOSBGJWXWKLJ-HNNXBMFYSA-N 2 1 317.437 0.417 10 30 DCEEMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000152104052 526354450 /nfs/dbraw/zinc/35/44/50/526354450.db2.gz XLQGTJJCVUSIBL-CYBMUJFWSA-N 2 1 319.457 0.632 10 30 DCEEMP C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261715022 526365742 /nfs/dbraw/zinc/36/57/42/526365742.db2.gz HQQWCQQNKOLJHL-GXFFZTMASA-N 2 1 306.414 0.568 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261689209 528809339 /nfs/dbraw/zinc/80/93/39/528809339.db2.gz DYFQRCAYVLQRCT-YOEHRIQHSA-N 2 1 321.469 0.506 10 30 DCEEMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303904152 685208685 /nfs/dbraw/zinc/20/86/85/685208685.db2.gz UTNVGKBZCGHWES-HNNXBMFYSA-N 2 1 311.474 0.487 10 30 DCEEMP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303904152 685208686 /nfs/dbraw/zinc/20/86/86/685208686.db2.gz UTNVGKBZCGHWES-HNNXBMFYSA-N 3 1 311.474 0.487 10 30 DCEEMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303904152 685208687 /nfs/dbraw/zinc/20/86/87/685208687.db2.gz UTNVGKBZCGHWES-HNNXBMFYSA-N 3 1 311.474 0.487 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419458432 416402066 /nfs/dbraw/zinc/40/20/66/416402066.db2.gz ZUQITWFNAVBJTP-CABCVRRESA-N 2 1 324.469 0.733 10 30 DCEEMP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000248859160 277320481 /nfs/dbraw/zinc/32/04/81/277320481.db2.gz FNSRSGVCTRACGX-UONOGXRCSA-N 2 1 311.474 0.747 10 30 DCEEMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262459246 526354728 /nfs/dbraw/zinc/35/47/28/526354728.db2.gz MAQSZSVCMPFKJM-CYBMUJFWSA-N 2 1 304.442 0.879 10 30 DCEEMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262459246 526354732 /nfs/dbraw/zinc/35/47/32/526354732.db2.gz MAQSZSVCMPFKJM-CYBMUJFWSA-N 2 1 304.442 0.879 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@](C)(O)c1ccc(C)o1 ZINC000262478065 526371437 /nfs/dbraw/zinc/37/14/37/526371437.db2.gz XOWLDYLKCMSLBK-BBRMVZONSA-N 2 1 308.426 0.912 10 30 DCEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000634703157 417526238 /nfs/dbraw/zinc/52/62/38/417526238.db2.gz QXYHDBOXDRYQLE-INIZCTEOSA-N 2 1 312.454 0.909 10 30 DCEEMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H]([NH+](C)CCO)[C@H]1C ZINC000330181699 336121682 /nfs/dbraw/zinc/12/16/82/336121682.db2.gz GUFPRTJHQNGUAK-RRCSTGOVSA-N 2 1 324.469 0.770 10 30 DCEEMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000330181699 336121683 /nfs/dbraw/zinc/12/16/83/336121683.db2.gz GUFPRTJHQNGUAK-RRCSTGOVSA-N 2 1 324.469 0.770 10 30 DCEEMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000330181699 336121684 /nfs/dbraw/zinc/12/16/84/336121684.db2.gz GUFPRTJHQNGUAK-RRCSTGOVSA-N 2 1 324.469 0.770 10 30 DCEEMP C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000245693451 526345445 /nfs/dbraw/zinc/34/54/45/526345445.db2.gz WMPMRKVRQVTIEC-UONOGXRCSA-N 2 1 309.458 0.503 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261826409 526369908 /nfs/dbraw/zinc/36/99/08/526369908.db2.gz UXEVLXAYCWOELU-PMPSAXMXSA-N 2 1 324.469 0.377 10 30 DCEEMP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261953211 526382109 /nfs/dbraw/zinc/38/21/09/526382109.db2.gz HYIAPVUZMWSTGM-WCQYABFASA-N 2 1 321.425 0.772 10 30 DCEEMP [NH2+]=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCOCC1 ZINC000303790586 685206987 /nfs/dbraw/zinc/20/69/87/685206987.db2.gz WMZJOVWFFIILJM-UHFFFAOYSA-N 2 1 318.421 0.666 10 30 DCEEMP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593729500 397433720 /nfs/dbraw/zinc/43/37/20/397433720.db2.gz GJLCKLHNMPKROE-BFHYXJOUSA-N 2 1 324.425 0.359 10 30 DCEEMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515625 416326685 /nfs/dbraw/zinc/32/66/85/416326685.db2.gz XHLFNRLGKNJEOE-CYBMUJFWSA-N 2 1 317.393 0.827 10 30 DCEEMP C=CCNC(=O)NC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000195515625 416326686 /nfs/dbraw/zinc/32/66/86/416326686.db2.gz XHLFNRLGKNJEOE-CYBMUJFWSA-N 2 1 317.393 0.827 10 30 DCEEMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)CCO)[C@H]2C)C[N@H+]1C1CC1 ZINC000330202821 336123744 /nfs/dbraw/zinc/12/37/44/336123744.db2.gz ZVBBFCTVYGNFDW-IXYNUQLISA-N 2 1 324.469 0.913 10 30 DCEEMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)C[NH+]1C1CC1 ZINC000330202821 336123746 /nfs/dbraw/zinc/12/37/46/336123746.db2.gz ZVBBFCTVYGNFDW-IXYNUQLISA-N 2 1 324.469 0.913 10 30 DCEEMP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)C[NH+]1C1CC1 ZINC000330202821 336123748 /nfs/dbraw/zinc/12/37/48/336123748.db2.gz ZVBBFCTVYGNFDW-IXYNUQLISA-N 2 1 324.469 0.913 10 30 DCEEMP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000516273960 338009325 /nfs/dbraw/zinc/00/93/25/338009325.db2.gz HGJFIUOWXCXXGU-HOTGVXAUSA-N 2 1 317.437 0.909 10 30 DCEEMP C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158409229 526365782 /nfs/dbraw/zinc/36/57/82/526365782.db2.gz OFBSGAWJOKHNON-WCQYABFASA-N 2 1 308.430 0.814 10 30 DCEEMP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248859163 527383388 /nfs/dbraw/zinc/38/33/88/527383388.db2.gz FNSRSGVCTRACGX-ZIAGYGMSSA-N 2 1 311.474 0.747 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc2ccnn21 ZINC000262289450 529074832 /nfs/dbraw/zinc/07/48/32/529074832.db2.gz GNYABFJLONCFME-GFCCVEGCSA-N 2 1 301.398 0.618 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419458435 416402172 /nfs/dbraw/zinc/40/21/72/416402172.db2.gz ZUQITWFNAVBJTP-LSDHHAIUSA-N 2 1 324.469 0.733 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC(C)C)N[C@H]1CCC(=O)NC1 ZINC000261704794 526369048 /nfs/dbraw/zinc/36/90/48/526369048.db2.gz JNTRADCRNJGCCW-GJZGRUSLSA-N 2 1 323.485 0.941 10 30 DCEEMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261933391 526377264 /nfs/dbraw/zinc/37/72/64/526377264.db2.gz LUVBNWAYLDYAFZ-CQSZACIVSA-N 2 1 323.485 0.987 10 30 DCEEMP C[NH+]=C(NCC(=O)N1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262753110 526345285 /nfs/dbraw/zinc/34/52/85/526345285.db2.gz GZCGXWBQQMQFNQ-AWEZNQCLSA-N 2 1 321.469 0.791 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(Cc2ccon2)CC1 ZINC000261699684 526371752 /nfs/dbraw/zinc/37/17/52/526371752.db2.gz GAUHQTKBNAPXAK-AWEZNQCLSA-N 2 1 320.441 0.319 10 30 DCEEMP C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261955193 526392525 /nfs/dbraw/zinc/39/25/25/526392525.db2.gz INXSJKWQPQXTCW-DGCLKSJQSA-N 2 1 307.446 0.517 10 30 DCEEMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261749737 278168162 /nfs/dbraw/zinc/16/81/62/278168162.db2.gz LRPVQKARWXKLPK-XJKSGUPXSA-N 2 1 309.458 0.504 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(Cc2ccon2)CC1 ZINC000261769846 526370634 /nfs/dbraw/zinc/37/06/34/526370634.db2.gz NWVKHQXJKJNIPG-HNNXBMFYSA-N 2 1 320.441 0.462 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NCC1(C(=O)N(C)C)CCCC1 ZINC000262341000 526370674 /nfs/dbraw/zinc/37/06/74/526370674.db2.gz AIPVTKPYCRMMQC-AWEZNQCLSA-N 2 1 323.485 0.894 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@@](C)(O)c1ccc(C)o1 ZINC000262478075 526371335 /nfs/dbraw/zinc/37/13/35/526371335.db2.gz XOWLDYLKCMSLBK-XJKSGUPXSA-N 2 1 308.426 0.912 10 30 DCEEMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174876855 526623000 /nfs/dbraw/zinc/62/30/00/526623000.db2.gz IARADPIFXHUMRB-CVEARBPZSA-N 2 1 308.470 0.779 10 30 DCEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174876855 526623004 /nfs/dbraw/zinc/62/30/04/526623004.db2.gz IARADPIFXHUMRB-CVEARBPZSA-N 2 1 308.470 0.779 10 30 DCEEMP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303779005 685207568 /nfs/dbraw/zinc/20/75/68/685207568.db2.gz KHMTUWJWEPXJPI-AWEZNQCLSA-N 2 1 320.437 0.958 10 30 DCEEMP C[NH+]=C(NCC(=O)N1CCCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245610213 526346362 /nfs/dbraw/zinc/34/63/62/526346362.db2.gz LDKVEDNGRRPUTF-HUUCEWRRSA-N 2 1 323.485 0.893 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(C[C@H]2CCOC2)CC1 ZINC000245628971 526369977 /nfs/dbraw/zinc/36/99/77/526369977.db2.gz CXKPOTIJIROOLS-CVEARBPZSA-N 2 1 323.485 0.310 10 30 DCEEMP CNC(=O)CC1CCN(C(NC[C@H]2CCC[N@H+]2C)=[NH+]C)CC1 ZINC000153063564 526377357 /nfs/dbraw/zinc/37/73/57/526377357.db2.gz LUXCQNLSLDNKDF-CQSZACIVSA-N 2 1 309.458 0.504 10 30 DCEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)NC1CCOCC1 ZINC000262777683 526379815 /nfs/dbraw/zinc/37/98/15/526379815.db2.gz KMFWXZNNIJIIDJ-CQSZACIVSA-N 2 1 300.472 0.768 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(NCc1nnc(C)n1C)=[NH+]C ZINC000261999463 529059682 /nfs/dbraw/zinc/05/96/82/529059682.db2.gz TYSXXAQPZSQWFO-CYBMUJFWSA-N 2 1 307.446 0.615 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H](N2CCOCC2)C1 ZINC000175524012 278168026 /nfs/dbraw/zinc/16/80/26/278168026.db2.gz MSFZWYZKEHJWAB-HOTGVXAUSA-N 2 1 323.485 0.310 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261815455 526371981 /nfs/dbraw/zinc/37/19/81/526371981.db2.gz TWXCVZMGGKZEDD-BBRMVZONSA-N 2 1 307.442 0.116 10 30 DCEEMP C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262814477 526372607 /nfs/dbraw/zinc/37/26/07/526372607.db2.gz ROHFTQHRKYHRAR-UKRRQHHQSA-N 2 1 310.442 0.584 10 30 DCEEMP COc1cc(CN(C)CC(=O)N2CCNCC2)ccc1C#N ZINC000262469907 396143835 /nfs/dbraw/zinc/14/38/35/396143835.db2.gz JEZBDQZSERISJF-UHFFFAOYSA-N 2 1 302.378 0.430 10 30 DCEEMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262431013 526354839 /nfs/dbraw/zinc/35/48/39/526354839.db2.gz DZOFMXBHLITSEE-OAHLLOKOSA-N 2 1 309.458 0.063 10 30 DCEEMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262431013 526354841 /nfs/dbraw/zinc/35/48/41/526354841.db2.gz DZOFMXBHLITSEE-OAHLLOKOSA-N 2 1 309.458 0.063 10 30 DCEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCc1ccco1 ZINC000303771043 685206209 /nfs/dbraw/zinc/20/62/09/685206209.db2.gz CGRZIZGZVDSURX-LBPRGKRZSA-N 2 1 307.398 0.284 10 30 DCEEMP CCN(CCC#N)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171589099 279171587 /nfs/dbraw/zinc/17/15/87/279171587.db2.gz FJMLETJQEMXSQV-OAHLLOKOSA-N 2 1 324.469 0.773 10 30 DCEEMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)CCO)[C@H]2C)C[N@H+]1C1CC1 ZINC000330202820 336123890 /nfs/dbraw/zinc/12/38/90/336123890.db2.gz ZVBBFCTVYGNFDW-HGTKMLMNSA-N 2 1 324.469 0.913 10 30 DCEEMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)C[NH+]1C1CC1 ZINC000330202820 336123891 /nfs/dbraw/zinc/12/38/91/336123891.db2.gz ZVBBFCTVYGNFDW-HGTKMLMNSA-N 2 1 324.469 0.913 10 30 DCEEMP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)C[NH+]1C1CC1 ZINC000330202820 336123892 /nfs/dbraw/zinc/12/38/92/336123892.db2.gz ZVBBFCTVYGNFDW-HGTKMLMNSA-N 2 1 324.469 0.913 10 30 DCEEMP CC[NH+]=C(NCC[N@H+]1CCCC[C@H]1C)N1CCN(C(C)=O)CC1 ZINC000263275824 528805458 /nfs/dbraw/zinc/80/54/58/528805458.db2.gz YJTREIVYTWELTB-OAHLLOKOSA-N 2 1 323.485 0.990 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](CC)C2)CC1 ZINC000246843309 416332437 /nfs/dbraw/zinc/33/24/37/416332437.db2.gz MNILAHPZZZJRLM-DOTOQJQBSA-N 2 1 321.465 0.635 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@H]1CCN(C(=O)CC)C1 ZINC000262014469 528810070 /nfs/dbraw/zinc/81/00/70/528810070.db2.gz XKQSVINAZYHZCC-KBPBESRZSA-N 2 1 309.458 0.647 10 30 DCEEMP CC[NH+]=C(NCc1ccnn1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262017985 528819074 /nfs/dbraw/zinc/81/90/74/528819074.db2.gz YFPBVGQJTVJKPF-IUODEOHRSA-N 2 1 304.442 0.958 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000179084902 526369879 /nfs/dbraw/zinc/36/98/79/526369879.db2.gz CXKPOTIJIROOLS-HOTGVXAUSA-N 2 1 323.485 0.310 10 30 DCEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000261993701 526373280 /nfs/dbraw/zinc/37/32/80/526373280.db2.gz RXJMNXNGJHQZTO-BZUAXINKSA-N 3 1 324.517 0.126 10 30 DCEEMP C[NH+]=C(NC[C@@H]1C[NH+](C)CCN1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261993701 526373283 /nfs/dbraw/zinc/37/32/83/526373283.db2.gz RXJMNXNGJHQZTO-BZUAXINKSA-N 3 1 324.517 0.126 10 30 DCEEMP C[NH+]=C(NC[C@@H]1C[NH+](C)CCN1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261993701 526373289 /nfs/dbraw/zinc/37/32/89/526373289.db2.gz RXJMNXNGJHQZTO-BZUAXINKSA-N 3 1 324.517 0.126 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261993701 526373295 /nfs/dbraw/zinc/37/32/95/526373295.db2.gz RXJMNXNGJHQZTO-BZUAXINKSA-N 2 1 324.517 0.126 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261993701 526373299 /nfs/dbraw/zinc/37/32/99/526373299.db2.gz RXJMNXNGJHQZTO-BZUAXINKSA-N 2 1 324.517 0.126 10 30 DCEEMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1csc(C)n1 ZINC000261665123 526377555 /nfs/dbraw/zinc/37/75/55/526377555.db2.gz GHVMIGQKEWLPSW-AWEZNQCLSA-N 2 1 324.498 0.705 10 30 DCEEMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303904153 685208558 /nfs/dbraw/zinc/20/85/58/685208558.db2.gz UTNVGKBZCGHWES-OAHLLOKOSA-N 2 1 311.474 0.487 10 30 DCEEMP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303904153 685208562 /nfs/dbraw/zinc/20/85/62/685208562.db2.gz UTNVGKBZCGHWES-OAHLLOKOSA-N 3 1 311.474 0.487 10 30 DCEEMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303904153 685208567 /nfs/dbraw/zinc/20/85/67/685208567.db2.gz UTNVGKBZCGHWES-OAHLLOKOSA-N 3 1 311.474 0.487 10 30 DCEEMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000329294085 287087282 /nfs/dbraw/zinc/08/72/82/287087282.db2.gz RTRUFJQGEYPIFG-MGPQQGTHSA-N 2 1 310.442 0.524 10 30 DCEEMP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000329294085 287087284 /nfs/dbraw/zinc/08/72/84/287087284.db2.gz RTRUFJQGEYPIFG-MGPQQGTHSA-N 2 1 310.442 0.524 10 30 DCEEMP C=CCNC(=O)[C@H](C)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863279 415638040 /nfs/dbraw/zinc/63/80/40/415638040.db2.gz KFYZVENLQYSQFX-HNNXBMFYSA-N 2 1 319.453 0.970 10 30 DCEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1csc(C)n1 ZINC000261665125 526372990 /nfs/dbraw/zinc/37/29/90/526372990.db2.gz GHVMIGQKEWLPSW-CQSZACIVSA-N 2 1 324.498 0.705 10 30 DCEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261842485 526372632 /nfs/dbraw/zinc/37/26/32/526372632.db2.gz WLGZMNWHLCGPDQ-HRCADAONSA-N 2 1 307.486 0.930 10 30 DCEEMP C=CCNC(NCC(=O)N(C)C)=[NH+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262262108 526956920 /nfs/dbraw/zinc/95/69/20/526956920.db2.gz DZXVQKFWRINVOK-GOOCMWNKSA-N 2 1 321.469 0.811 10 30 DCEEMP CC[N@H+](C)CCNC(=[NH+]C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261768537 527793143 /nfs/dbraw/zinc/79/31/43/527793143.db2.gz DNHNDJJFQFOICV-UHFFFAOYSA-N 2 1 311.474 0.845 10 30 DCEEMP CC[N@@H+](C)CCNC(=[NH+]C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261768537 527793151 /nfs/dbraw/zinc/79/31/51/527793151.db2.gz DNHNDJJFQFOICV-UHFFFAOYSA-N 2 1 311.474 0.845 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261837359 528811612 /nfs/dbraw/zinc/81/16/12/528811612.db2.gz WHFMDKQUVKHJHD-FVQBIDKESA-N 2 1 323.485 0.355 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000172336190 396130353 /nfs/dbraw/zinc/13/03/53/396130353.db2.gz JNXTTZQQVURMEM-HNNXBMFYSA-N 2 1 324.469 0.999 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000172336190 396130356 /nfs/dbraw/zinc/13/03/56/396130356.db2.gz JNXTTZQQVURMEM-HNNXBMFYSA-N 2 1 324.469 0.999 10 30 DCEEMP C=CCNC(=O)CN1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000105845554 415636192 /nfs/dbraw/zinc/63/61/92/415636192.db2.gz WYJQVYRMSFHHGH-INIZCTEOSA-N 2 1 324.469 0.015 10 30 DCEEMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H]([NH+](C)CCO)[C@H]1C ZINC000330181698 336121472 /nfs/dbraw/zinc/12/14/72/336121472.db2.gz GUFPRTJHQNGUAK-LUYZLQTOSA-N 2 1 324.469 0.770 10 30 DCEEMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000330181698 336121473 /nfs/dbraw/zinc/12/14/73/336121473.db2.gz GUFPRTJHQNGUAK-LUYZLQTOSA-N 2 1 324.469 0.770 10 30 DCEEMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000330181698 336121475 /nfs/dbraw/zinc/12/14/75/336121475.db2.gz GUFPRTJHQNGUAK-LUYZLQTOSA-N 2 1 324.469 0.770 10 30 DCEEMP C[NH+]=C(NCCn1cncn1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262922720 526368793 /nfs/dbraw/zinc/36/87/93/526368793.db2.gz LBZDGLSQWXXVEZ-ZDUSSCGKSA-N 2 1 305.430 0.460 10 30 DCEEMP CCc1nc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cs1 ZINC000304745609 685212309 /nfs/dbraw/zinc/21/23/09/685212309.db2.gz FGRVXSFCHXIFHL-UHFFFAOYSA-N 2 1 311.455 0.832 10 30 DCEEMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000458315210 397428873 /nfs/dbraw/zinc/42/88/73/397428873.db2.gz FPFSYYMKAGKVDL-OAHLLOKOSA-N 2 1 324.469 0.735 10 30 DCEEMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CCO)C[C@H]2C)CC1 ZINC000458315210 397428876 /nfs/dbraw/zinc/42/88/76/397428876.db2.gz FPFSYYMKAGKVDL-OAHLLOKOSA-N 2 1 324.469 0.735 10 30 DCEEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(=O)N(C)CCC#N)CC1 ZINC000131513148 341093256 /nfs/dbraw/zinc/09/32/56/341093256.db2.gz KOTCMEMCFCAORW-HNNXBMFYSA-N 2 1 324.469 0.773 10 30 DCEEMP C=CCNC(=O)CN1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000105845551 415638747 /nfs/dbraw/zinc/63/87/47/415638747.db2.gz WYJQVYRMSFHHGH-MRXNPFEDSA-N 2 1 324.469 0.015 10 30 DCEEMP C=CCNC(=O)[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119644619 415747385 /nfs/dbraw/zinc/74/73/85/415747385.db2.gz YWQFFVJQGAUKPZ-PMRDEQMMSA-N 2 1 320.481 0.920 10 30 DCEEMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261749721 280841410 /nfs/dbraw/zinc/84/14/10/280841410.db2.gz LRPVQKARWXKLPK-BBRMVZONSA-N 2 1 309.458 0.504 10 30 DCEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc2ccnn21 ZINC000262289453 529101270 /nfs/dbraw/zinc/10/12/70/529101270.db2.gz GNYABFJLONCFME-LBPRGKRZSA-N 2 1 301.398 0.618 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303875554 685207284 /nfs/dbraw/zinc/20/72/84/685207284.db2.gz DMSGQPYVVKDAAU-OAHLLOKOSA-N 3 1 311.474 0.487 10 30 DCEEMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCN1CCOCC1 ZINC000303875554 685207288 /nfs/dbraw/zinc/20/72/88/685207288.db2.gz DMSGQPYVVKDAAU-OAHLLOKOSA-N 2 1 311.474 0.487 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCN1CCOCC1 ZINC000303875554 685207295 /nfs/dbraw/zinc/20/72/95/685207295.db2.gz DMSGQPYVVKDAAU-OAHLLOKOSA-N 2 1 311.474 0.487 10 30 DCEEMP C[C@@H](O)C[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000329563094 287087296 /nfs/dbraw/zinc/08/72/96/287087296.db2.gz RXHZHJMZAGVAHO-WZYMTQMTSA-N 2 1 324.469 0.914 10 30 DCEEMP C[C@@H](O)C[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000329563094 287087298 /nfs/dbraw/zinc/08/72/98/287087298.db2.gz RXHZHJMZAGVAHO-WZYMTQMTSA-N 2 1 324.469 0.914 10 30 DCEEMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261700899 526368032 /nfs/dbraw/zinc/36/80/32/526368032.db2.gz GESICNXSYLUHEX-INIZCTEOSA-N 2 1 318.425 0.369 10 30 DCEEMP CNC(=O)C(C)(C)CNC(N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)=[NH+]C ZINC000261983357 661941710 /nfs/dbraw/zinc/94/17/10/661941710.db2.gz PJWIZBYOELWAMA-CHWSQXEVSA-N 2 1 311.474 0.652 10 30 DCEEMP CCn1cnnc1CNC(N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)=[NH+]C ZINC000262010040 238169680 /nfs/dbraw/zinc/16/96/80/238169680.db2.gz WKDXQGOHNFYHPH-CHWSQXEVSA-N 2 1 307.446 0.692 10 30 DCEEMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876630 397509190 /nfs/dbraw/zinc/50/91/90/397509190.db2.gz HPDHTWHBTLXFFX-CYBMUJFWSA-N 2 1 308.426 0.804 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000117285652 415733459 /nfs/dbraw/zinc/73/34/59/415733459.db2.gz PUYRQDQZVJVCRO-HNNXBMFYSA-N 2 1 307.438 0.511 10 30 DCEEMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N[C@H]1CCc2ncnn2C1 ZINC000152104150 526353886 /nfs/dbraw/zinc/35/38/86/526353886.db2.gz XLQGTJJCVUSIBL-ZDUSSCGKSA-N 2 1 319.457 0.632 10 30 DCEEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(=O)N(C)CCC#N)CC1 ZINC000131513324 341093234 /nfs/dbraw/zinc/09/32/34/341093234.db2.gz KOTCMEMCFCAORW-OAHLLOKOSA-N 2 1 324.469 0.773 10 30 DCEEMP C[NH+]=C(NCC(=O)NC1CC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262733207 526347357 /nfs/dbraw/zinc/34/73/57/526347357.db2.gz BEAMPKXXOBMGQG-ZDUSSCGKSA-N 2 1 307.442 0.447 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261827094 526369948 /nfs/dbraw/zinc/36/99/48/526369948.db2.gz VDFHFHIQWNQQJA-BBRMVZONSA-N 2 1 307.442 0.258 10 30 DCEEMP C[NH+]=C(NCc1noc(C)n1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261855312 526393270 /nfs/dbraw/zinc/39/32/70/526393270.db2.gz XSYYCLNTMFLXQT-CYBMUJFWSA-N 2 1 322.413 0.108 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N[C@H]1CCC(=O)NC1 ZINC000262830161 528809357 /nfs/dbraw/zinc/80/93/57/528809357.db2.gz ZRRWRJLFQUXVJO-KBPBESRZSA-N 2 1 309.458 0.695 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261838463 528811441 /nfs/dbraw/zinc/81/14/41/528811441.db2.gz WHFMDKQUVKHJHD-NUEKZKHPSA-N 2 1 323.485 0.355 10 30 DCEEMP CC[NH+]=C(NCC[N@H+](C)CC)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261725182 528828303 /nfs/dbraw/zinc/82/83/03/528828303.db2.gz IUKAAKLNERZYPX-INIZCTEOSA-N 2 1 309.458 0.506 10 30 DCEEMP CC[NH+]=C(NCC[N@@H+](C)CC)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261725182 528828309 /nfs/dbraw/zinc/82/83/09/528828309.db2.gz IUKAAKLNERZYPX-INIZCTEOSA-N 2 1 309.458 0.506 10 30 DCEEMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262758567 662568436 /nfs/dbraw/zinc/56/84/36/662568436.db2.gz CLHVYLONJPCQHU-ZDUSSCGKSA-N 2 1 309.458 0.647 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+]1CCOC ZINC000303973004 685209212 /nfs/dbraw/zinc/20/92/12/685209212.db2.gz GICMZCGWBWQPCQ-CABCVRRESA-N 3 1 311.474 0.486 10 30 DCEEMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000303973004 685209215 /nfs/dbraw/zinc/20/92/15/685209215.db2.gz GICMZCGWBWQPCQ-CABCVRRESA-N 3 1 311.474 0.486 10 30 DCEEMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCOC ZINC000303973004 685209220 /nfs/dbraw/zinc/20/92/20/685209220.db2.gz GICMZCGWBWQPCQ-CABCVRRESA-N 3 1 311.474 0.486 10 30 DCEEMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCN1CCOC ZINC000303973004 685209224 /nfs/dbraw/zinc/20/92/24/685209224.db2.gz GICMZCGWBWQPCQ-CABCVRRESA-N 2 1 311.474 0.486 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCN1CCOC ZINC000303973004 685209228 /nfs/dbraw/zinc/20/92/28/685209228.db2.gz GICMZCGWBWQPCQ-CABCVRRESA-N 2 1 311.474 0.486 10 30 DCEEMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CCN(C2CC2)C(=O)C1 ZINC000262814107 526353831 /nfs/dbraw/zinc/35/38/31/526353831.db2.gz WDRLBBVVSMXKRW-UHFFFAOYSA-N 2 1 321.469 0.743 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1CCOC)N1CC[C@@]2(CCOC2)C1 ZINC000261937752 526370440 /nfs/dbraw/zinc/37/04/40/526370440.db2.gz CWAJWJUHGHUVDE-DOTOQJQBSA-N 2 1 324.469 0.785 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261986496 526372494 /nfs/dbraw/zinc/37/24/94/526372494.db2.gz QEYASFJJKGQEEW-RBSFLKMASA-N 2 1 311.474 0.211 10 30 DCEEMP CC[NH+]=C(NCC[N@H+](C)C1CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261795123 528805015 /nfs/dbraw/zinc/80/50/15/528805015.db2.gz QVOLXNLPATVOPA-KRWDZBQOSA-N 2 1 321.469 0.648 10 30 DCEEMP CC[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261795123 528805020 /nfs/dbraw/zinc/80/50/20/528805020.db2.gz QVOLXNLPATVOPA-KRWDZBQOSA-N 2 1 321.469 0.648 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000117285650 415732524 /nfs/dbraw/zinc/73/25/24/415732524.db2.gz PUYRQDQZVJVCRO-OAHLLOKOSA-N 2 1 307.438 0.511 10 30 DCEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000261993699 526373004 /nfs/dbraw/zinc/37/30/04/526373004.db2.gz RXJMNXNGJHQZTO-ARFHVFGLSA-N 3 1 324.517 0.126 10 30 DCEEMP C[NH+]=C(NC[C@@H]1C[NH+](C)CCN1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261993699 526373010 /nfs/dbraw/zinc/37/30/10/526373010.db2.gz RXJMNXNGJHQZTO-ARFHVFGLSA-N 3 1 324.517 0.126 10 30 DCEEMP C[NH+]=C(NC[C@@H]1C[NH+](C)CCN1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261993699 526373015 /nfs/dbraw/zinc/37/30/15/526373015.db2.gz RXJMNXNGJHQZTO-ARFHVFGLSA-N 3 1 324.517 0.126 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261993699 526373017 /nfs/dbraw/zinc/37/30/17/526373017.db2.gz RXJMNXNGJHQZTO-ARFHVFGLSA-N 2 1 324.517 0.126 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261993699 526373023 /nfs/dbraw/zinc/37/30/23/526373023.db2.gz RXJMNXNGJHQZTO-ARFHVFGLSA-N 2 1 324.517 0.126 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261655976 528812794 /nfs/dbraw/zinc/81/27/94/528812794.db2.gz ADLFBDOBAZXANA-RBSFLKMASA-N 2 1 312.458 0.686 10 30 DCEEMP CC[NH+]=C(NCc1ccnn1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262017987 528818972 /nfs/dbraw/zinc/81/89/72/528818972.db2.gz YFPBVGQJTVJKPF-SWLSCSKDSA-N 2 1 304.442 0.958 10 30 DCEEMP CC[C@H](C)[N@@H+](C)CCNC(=[NH+]C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261755658 529687747 /nfs/dbraw/zinc/68/77/47/529687747.db2.gz MJVPLWHZZCRSHQ-YOEHRIQHSA-N 2 1 323.485 0.894 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261826401 526370190 /nfs/dbraw/zinc/37/01/90/526370190.db2.gz UXEVLXAYCWOELU-JYJNAYRXSA-N 2 1 324.469 0.377 10 30 DCEEMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245421591 526624001 /nfs/dbraw/zinc/62/40/01/526624001.db2.gz IARADPIFXHUMRB-HZPDHXFCSA-N 2 1 308.470 0.779 10 30 DCEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245421591 526624003 /nfs/dbraw/zinc/62/40/03/526624003.db2.gz IARADPIFXHUMRB-HZPDHXFCSA-N 2 1 308.470 0.779 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c(C)nn(C)c1C ZINC000303868776 685206939 /nfs/dbraw/zinc/20/69/39/685206939.db2.gz DNFNEFPDSLDURH-CQSZACIVSA-N 2 1 306.458 0.968 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458334004 397429415 /nfs/dbraw/zinc/42/94/15/397429415.db2.gz MDUATNPNMOZXLQ-MRXNPFEDSA-N 2 1 324.469 0.783 10 30 DCEEMP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329244528 287087315 /nfs/dbraw/zinc/08/73/15/287087315.db2.gz PWQRNJQEJANLID-ZIAGYGMSSA-N 2 1 310.442 0.383 10 30 DCEEMP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329244528 287087318 /nfs/dbraw/zinc/08/73/18/287087318.db2.gz PWQRNJQEJANLID-ZIAGYGMSSA-N 2 1 310.442 0.383 10 30 DCEEMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262459247 526354667 /nfs/dbraw/zinc/35/46/67/526354667.db2.gz MAQSZSVCMPFKJM-ZDUSSCGKSA-N 2 1 304.442 0.879 10 30 DCEEMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262459247 526354671 /nfs/dbraw/zinc/35/46/71/526354671.db2.gz MAQSZSVCMPFKJM-ZDUSSCGKSA-N 2 1 304.442 0.879 10 30 DCEEMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261990726 526392223 /nfs/dbraw/zinc/39/22/23/526392223.db2.gz RDUIKYDLKGNTDP-QWHCGFSZSA-N 2 1 319.457 0.618 10 30 DCEEMP C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000261951597 526392320 /nfs/dbraw/zinc/39/23/20/526392320.db2.gz HOJUECSLMUTNHB-ZDUSSCGKSA-N 2 1 319.457 0.805 10 30 DCEEMP CC[NH+]1CCN(CCCCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000303268244 662445911 /nfs/dbraw/zinc/44/59/11/662445911.db2.gz YOGFYEPEAOGCCC-HNNXBMFYSA-N 2 1 311.474 0.487 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH+]C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261699485 285253568 /nfs/dbraw/zinc/25/35/68/285253568.db2.gz FYTNHZUSKLKLJA-PBHICJAKSA-N 2 1 321.469 0.648 10 30 DCEEMP Cc1cc(N2CCN(C(=O)CN(C)C)CC2)c(C#N)c(C)n1 ZINC000301749532 416089936 /nfs/dbraw/zinc/08/99/36/416089936.db2.gz ADIBOPYOZBTQLM-UHFFFAOYSA-N 2 1 301.394 0.780 10 30 DCEEMP C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262733204 526347471 /nfs/dbraw/zinc/34/74/71/526347471.db2.gz BEAMPKXXOBMGQG-CYBMUJFWSA-N 2 1 307.442 0.447 10 30 DCEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+]1CCOC ZINC000303973007 685209419 /nfs/dbraw/zinc/20/94/19/685209419.db2.gz GICMZCGWBWQPCQ-LSDHHAIUSA-N 3 1 311.474 0.486 10 30 DCEEMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000303973007 685209423 /nfs/dbraw/zinc/20/94/23/685209423.db2.gz GICMZCGWBWQPCQ-LSDHHAIUSA-N 3 1 311.474 0.486 10 30 DCEEMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCOC ZINC000303973007 685209428 /nfs/dbraw/zinc/20/94/28/685209428.db2.gz GICMZCGWBWQPCQ-LSDHHAIUSA-N 3 1 311.474 0.486 10 30 DCEEMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1CCOC ZINC000303973007 685209431 /nfs/dbraw/zinc/20/94/31/685209431.db2.gz GICMZCGWBWQPCQ-LSDHHAIUSA-N 2 1 311.474 0.486 10 30 DCEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1CCOC ZINC000303973007 685209435 /nfs/dbraw/zinc/20/94/35/685209435.db2.gz GICMZCGWBWQPCQ-LSDHHAIUSA-N 2 1 311.474 0.486 10 30 DCEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c(C)nn(C)c1C ZINC000303868773 685207427 /nfs/dbraw/zinc/20/74/27/685207427.db2.gz DNFNEFPDSLDURH-AWEZNQCLSA-N 2 1 306.458 0.968 10 30 DCEEMP CC(C)Cn1ccnc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304757801 685211799 /nfs/dbraw/zinc/21/17/99/685211799.db2.gz PHMOXQJFBPGUSV-UHFFFAOYSA-N 2 1 322.457 0.666 10 30 DCEEMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900362 396679509 /nfs/dbraw/zinc/67/95/09/396679509.db2.gz DDIRRECXPJSLCC-AWEZNQCLSA-N 2 1 308.426 0.710 10 30 DCEEMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261965463 526354181 /nfs/dbraw/zinc/35/41/81/526354181.db2.gz PTBPQGQTNPTSFF-UHFFFAOYSA-N 2 1 323.485 0.987 10 30 DCEEMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261965463 526354188 /nfs/dbraw/zinc/35/41/88/526354188.db2.gz PTBPQGQTNPTSFF-UHFFFAOYSA-N 2 1 323.485 0.987 10 30 DCEEMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261835859 526377582 /nfs/dbraw/zinc/37/75/82/526377582.db2.gz JKUKNWUBJRXFRA-CQSZACIVSA-N 2 1 323.485 0.845 10 30 DCEEMP CC[N@H+]1CCC[C@H]1CN(C)C(NCc1nnc(C)n1C)=[NH+]C ZINC000261999466 529092511 /nfs/dbraw/zinc/09/25/11/529092511.db2.gz TYSXXAQPZSQWFO-ZDUSSCGKSA-N 2 1 307.446 0.615 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CCOCC)[C@@H](C)C2)CC1 ZINC000117275866 415733373 /nfs/dbraw/zinc/73/33/73/415733373.db2.gz PSYNCVGJTFUJSD-INIZCTEOSA-N 2 1 321.465 0.901 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000174307104 340385603 /nfs/dbraw/zinc/38/56/03/340385603.db2.gz WFAJIAZGELEBSD-HUUCEWRRSA-N 2 1 307.438 0.245 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000174307104 340385604 /nfs/dbraw/zinc/38/56/04/340385604.db2.gz WFAJIAZGELEBSD-HUUCEWRRSA-N 2 1 307.438 0.245 10 30 DCEEMP C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261952715 526347599 /nfs/dbraw/zinc/34/75/99/526347599.db2.gz HUENXHAGKMFXKK-DGCLKSJQSA-N 2 1 309.458 0.549 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458334002 397429306 /nfs/dbraw/zinc/42/93/06/397429306.db2.gz MDUATNPNMOZXLQ-INIZCTEOSA-N 2 1 324.469 0.783 10 30 DCEEMP C[NH+]=C(NCc1ccnn1C)NC[C@]1([NH+](C)C)CCSC1 ZINC000262791359 526387438 /nfs/dbraw/zinc/38/74/38/526387438.db2.gz OEKJHDFAWCCLGQ-CQSZACIVSA-N 2 1 310.471 0.522 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCc2nnc(C)n2C1 ZINC000262514432 529072832 /nfs/dbraw/zinc/07/28/32/529072832.db2.gz FNZNDGGAIIQEGK-ZIAGYGMSSA-N 2 1 319.457 0.538 10 30 DCEEMP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261976724 661938933 /nfs/dbraw/zinc/93/89/33/661938933.db2.gz NWLNZFACQQQYNR-GZBFAFLISA-N 2 1 314.499 0.748 10 30 DCEEMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047970728 415283765 /nfs/dbraw/zinc/28/37/65/415283765.db2.gz DOKMCFCKBIOKJF-UHFFFAOYSA-N 2 1 308.426 0.806 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCc2nnc(C)n2C1 ZINC000262514429 529075156 /nfs/dbraw/zinc/07/51/56/529075156.db2.gz FNZNDGGAIIQEGK-UONOGXRCSA-N 2 1 319.457 0.538 10 30 DCEEMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262758566 658204619 /nfs/dbraw/zinc/20/46/19/658204619.db2.gz CLHVYLONJPCQHU-CYBMUJFWSA-N 2 1 309.458 0.647 10 30 DCEEMP C[NH+]=C(NCC(=O)N1CCCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000245610217 685157978 /nfs/dbraw/zinc/15/79/78/685157978.db2.gz LDKVEDNGRRPUTF-LSDHHAIUSA-N 2 1 323.485 0.893 10 30 DCEEMP C[N@H+]1CCCN(CCNC(=[NH2+])NCCc2cccs2)CC1 ZINC000303875169 685207401 /nfs/dbraw/zinc/20/74/01/685207401.db2.gz HMDIFSCNTKCJIY-UHFFFAOYSA-N 2 1 309.483 0.832 10 30 DCEEMP CNC(=O)CC1CCN(C(NC[C@@H]2CCC[N@H+]2C)=[NH+]C)CC1 ZINC000153063468 526370358 /nfs/dbraw/zinc/37/03/58/526370358.db2.gz LUXCQNLSLDNKDF-AWEZNQCLSA-N 2 1 309.458 0.504 10 30 DCEEMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261933762 526377154 /nfs/dbraw/zinc/37/71/54/526377154.db2.gz BZAKEKXHKLDKGK-GFCCVEGCSA-N 2 1 316.471 0.023 10 30 DCEEMP CC(C)(C)OC(=O)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000178569658 661320939 /nfs/dbraw/zinc/32/09/39/661320939.db2.gz UDENSZBCRZNGDV-UHFFFAOYSA-N 2 1 314.430 0.345 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000246874108 416332327 /nfs/dbraw/zinc/33/23/27/416332327.db2.gz WFAJIAZGELEBSD-CABCVRRESA-N 2 1 307.438 0.245 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000246874108 416332328 /nfs/dbraw/zinc/33/23/28/416332328.db2.gz WFAJIAZGELEBSD-CABCVRRESA-N 2 1 307.438 0.245 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000174307118 340385641 /nfs/dbraw/zinc/38/56/41/340385641.db2.gz WFAJIAZGELEBSD-LSDHHAIUSA-N 2 1 307.438 0.245 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000174307118 340385642 /nfs/dbraw/zinc/38/56/42/340385642.db2.gz WFAJIAZGELEBSD-LSDHHAIUSA-N 2 1 307.438 0.245 10 30 DCEEMP C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261958167 526347069 /nfs/dbraw/zinc/34/70/69/526347069.db2.gz JIQMBAVOOAJTAI-QWHCGFSZSA-N 2 1 311.474 0.795 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262835376 528813291 /nfs/dbraw/zinc/81/32/91/528813291.db2.gz WECGLXKJDNOLDQ-GDBMZVCRSA-N 2 1 324.469 0.974 10 30 DCEEMP CC[NH+]=C(NCC[N@@H+](C)C(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261774662 528828937 /nfs/dbraw/zinc/82/89/37/528828937.db2.gz ONTDYUAVTKFXHS-KRWDZBQOSA-N 2 1 323.485 0.894 10 30 DCEEMP COc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000303979978 685209555 /nfs/dbraw/zinc/20/95/55/685209555.db2.gz NRQDGVZIBXLFHN-UHFFFAOYSA-N 2 1 307.398 0.217 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(NC[C@@]1(O)CCSC1)=[NH+]C ZINC000262343854 285232843 /nfs/dbraw/zinc/23/28/43/285232843.db2.gz DAMHTRXIXMGESP-HIFRSBDPSA-N 2 1 314.499 0.846 10 30 DCEEMP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000541859029 396610658 /nfs/dbraw/zinc/61/06/58/396610658.db2.gz HIWRDBHGBQPAEC-CYBMUJFWSA-N 2 1 306.410 0.691 10 30 DCEEMP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593729505 397433736 /nfs/dbraw/zinc/43/37/36/397433736.db2.gz GJLCKLHNMPKROE-MGPQQGTHSA-N 2 1 324.425 0.359 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CCOCC)[C@H](C)C2)CC1 ZINC000117275870 415731394 /nfs/dbraw/zinc/73/13/94/415731394.db2.gz PSYNCVGJTFUJSD-MRXNPFEDSA-N 2 1 321.465 0.901 10 30 DCEEMP C[NH+]1CCC(O)(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000329809963 336084651 /nfs/dbraw/zinc/08/46/51/336084651.db2.gz QKTIPCTUQZMTGA-GOOCMWNKSA-N 2 1 324.469 0.962 10 30 DCEEMP C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261978256 526365912 /nfs/dbraw/zinc/36/59/12/526365912.db2.gz OFBSGAWJOKHNON-DGCLKSJQSA-N 2 1 308.430 0.814 10 30 DCEEMP C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261965004 526376275 /nfs/dbraw/zinc/37/62/75/526376275.db2.gz LENGDZJUXMWPCX-AXFHLTTASA-N 2 1 310.364 0.803 10 30 DCEEMP C[NH+]=C(NCC[N@@H+](C)C(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261757771 526413244 /nfs/dbraw/zinc/41/32/44/526413244.db2.gz MPSMICLMNRGEFC-INIZCTEOSA-N 2 1 309.458 0.504 10 30 DCEEMP CC[NH+]=C(NCC[N@@H+](C)C(C)C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261774663 528828433 /nfs/dbraw/zinc/82/84/33/528828433.db2.gz ONTDYUAVTKFXHS-QGZVFWFLSA-N 2 1 323.485 0.894 10 30 DCEEMP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261976729 657862223 /nfs/dbraw/zinc/86/22/23/657862223.db2.gz NWLNZFACQQQYNR-UMVBOHGHSA-N 2 1 314.499 0.748 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1CCN(C(=O)CC)C1 ZINC000262014470 528810109 /nfs/dbraw/zinc/81/01/09/528810109.db2.gz XKQSVINAZYHZCC-KGLIPLIRSA-N 2 1 309.458 0.647 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)CC1 ZINC000246843321 416332314 /nfs/dbraw/zinc/33/23/14/416332314.db2.gz MNILAHPZZZJRLM-RDJZCZTQSA-N 2 1 321.465 0.635 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1CCOC)N1CC[C@]2(CCOC2)C1 ZINC000261937756 526370551 /nfs/dbraw/zinc/37/05/51/526370551.db2.gz CWAJWJUHGHUVDE-RDJZCZTQSA-N 2 1 324.469 0.785 10 30 DCEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCc2nnc(C)n2C1 ZINC000262514423 529100591 /nfs/dbraw/zinc/10/05/91/529100591.db2.gz FNZNDGGAIIQEGK-KBPBESRZSA-N 2 1 319.457 0.538 10 30 DCEEMP CC[C@H](C)[N@@H+](C)CCNC(=[NH+]C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261755653 529687815 /nfs/dbraw/zinc/68/78/15/529687815.db2.gz MJVPLWHZZCRSHQ-WMLDXEAASA-N 2 1 323.485 0.894 10 30 DCEEMP CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000329033181 416145014 /nfs/dbraw/zinc/14/50/14/416145014.db2.gz QKDIWTRWTIERLB-LSDHHAIUSA-N 2 1 311.426 0.651 10 30 DCEEMP CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000329033181 416145018 /nfs/dbraw/zinc/14/50/18/416145018.db2.gz QKDIWTRWTIERLB-LSDHHAIUSA-N 2 1 311.426 0.651 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC(C)C)N[C@@H]1CCC(=O)NC1 ZINC000261704792 526369326 /nfs/dbraw/zinc/36/93/26/526369326.db2.gz JNTRADCRNJGCCW-CABCVRRESA-N 2 1 323.485 0.941 10 30 DCEEMP C=CCn1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nn1 ZINC000617502401 396741349 /nfs/dbraw/zinc/74/13/49/396741349.db2.gz OAHLFAJSTSBGCK-ZDUSSCGKSA-N 2 1 308.430 0.466 10 30 DCEEMP C=CCn1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000617502401 396741352 /nfs/dbraw/zinc/74/13/52/396741352.db2.gz OAHLFAJSTSBGCK-ZDUSSCGKSA-N 2 1 308.430 0.466 10 30 DCEEMP C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261965006 526376444 /nfs/dbraw/zinc/37/64/44/526376444.db2.gz LENGDZJUXMWPCX-MXWKQRLJSA-N 2 1 310.364 0.803 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419458434 416402143 /nfs/dbraw/zinc/40/21/43/416402143.db2.gz ZUQITWFNAVBJTP-HUUCEWRRSA-N 2 1 324.469 0.733 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C2)CC1 ZINC000174601250 340392716 /nfs/dbraw/zinc/39/27/16/340392716.db2.gz MNILAHPZZZJRLM-WBVHZDCISA-N 2 1 321.465 0.635 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H](N2CCOCC2)C1 ZINC000262439150 526370105 /nfs/dbraw/zinc/37/01/05/526370105.db2.gz HDEMNONNVFBWTC-GJZGRUSLSA-N 2 1 309.458 0.063 10 30 DCEEMP C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261862229 526376195 /nfs/dbraw/zinc/37/61/95/526376195.db2.gz ZLNSFKYNDAWNOT-GDPRMGEGSA-N 2 1 308.348 0.557 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000458319349 397428922 /nfs/dbraw/zinc/42/89/22/397428922.db2.gz GASYMEHUNNVQMK-AWEZNQCLSA-N 2 1 310.442 0.345 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)CC1 ZINC000458319349 397428927 /nfs/dbraw/zinc/42/89/27/397428927.db2.gz GASYMEHUNNVQMK-AWEZNQCLSA-N 2 1 310.442 0.345 10 30 DCEEMP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000329567817 287087339 /nfs/dbraw/zinc/08/73/39/287087339.db2.gz TWIYSDOSYQUTDD-GDBMZVCRSA-N 2 1 324.469 0.916 10 30 DCEEMP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000329567817 287087344 /nfs/dbraw/zinc/08/73/44/287087344.db2.gz TWIYSDOSYQUTDD-GDBMZVCRSA-N 2 1 324.469 0.916 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000248345364 278167949 /nfs/dbraw/zinc/16/79/49/278167949.db2.gz MSFZWYZKEHJWAB-JKSUJKDBSA-N 2 1 323.485 0.310 10 30 DCEEMP CC[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261937513 528820486 /nfs/dbraw/zinc/82/04/86/528820486.db2.gz CTILMADIRFXYTG-ZWNOBZJWSA-N 2 1 306.414 0.916 10 30 DCEEMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193611939 395773929 /nfs/dbraw/zinc/77/39/29/395773929.db2.gz RDTWQEBIIZIZBG-OWCLPIDISA-N 2 1 301.390 0.791 10 30 DCEEMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193611939 395773932 /nfs/dbraw/zinc/77/39/32/395773932.db2.gz RDTWQEBIIZIZBG-OWCLPIDISA-N 2 1 301.390 0.791 10 30 DCEEMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193611939 395773934 /nfs/dbraw/zinc/77/39/34/395773934.db2.gz RDTWQEBIIZIZBG-OWCLPIDISA-N 2 1 301.390 0.791 10 30 DCEEMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193611939 395773937 /nfs/dbraw/zinc/77/39/37/395773937.db2.gz RDTWQEBIIZIZBG-OWCLPIDISA-N 2 1 301.390 0.791 10 30 DCEEMP C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262753112 526345401 /nfs/dbraw/zinc/34/54/01/526345401.db2.gz GZCGXWBQQMQFNQ-CQSZACIVSA-N 2 1 321.469 0.791 10 30 DCEEMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178300883 526589635 /nfs/dbraw/zinc/58/96/35/526589635.db2.gz SGOOEBQQRPXBFM-CYBMUJFWSA-N 2 1 305.382 0.668 10 30 DCEEMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178300883 526589639 /nfs/dbraw/zinc/58/96/39/526589639.db2.gz SGOOEBQQRPXBFM-CYBMUJFWSA-N 2 1 305.382 0.668 10 30 DCEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCc2nnc(C)n2C1 ZINC000262514426 529100653 /nfs/dbraw/zinc/10/06/53/529100653.db2.gz FNZNDGGAIIQEGK-KGLIPLIRSA-N 2 1 319.457 0.538 10 30 DCEEMP CN(C)C(=O)CNC(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)=[NH+]C1CC1 ZINC000262268854 662279354 /nfs/dbraw/zinc/27/93/54/662279354.db2.gz GKVGHTADKANQEN-GOOCMWNKSA-N 2 1 321.469 0.788 10 30 DCEEMP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+]1CCCC[C@@H]1C ZINC000303902342 685208643 /nfs/dbraw/zinc/20/86/43/685208643.db2.gz TWDKOAVJSGMAPD-HNNXBMFYSA-N 2 1 311.474 0.358 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(NC[C@]1(O)CCSC1)=[NH+]C ZINC000262343857 285232867 /nfs/dbraw/zinc/23/28/67/285232867.db2.gz DAMHTRXIXMGESP-UKRRQHHQSA-N 2 1 314.499 0.846 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261986497 526372677 /nfs/dbraw/zinc/37/26/77/526372677.db2.gz QEYASFJJKGQEEW-RRFJBIMHSA-N 2 1 311.474 0.211 10 30 DCEEMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCN(Cc2ccon2)CC1 ZINC000261699688 526377740 /nfs/dbraw/zinc/37/77/40/526377740.db2.gz GAUHQTKBNAPXAK-CQSZACIVSA-N 2 1 320.441 0.319 10 30 DCEEMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000262493602 526367255 /nfs/dbraw/zinc/36/72/55/526367255.db2.gz VQIKRIHZEVNHDB-OAHLLOKOSA-N 2 1 320.441 0.173 10 30 DCEEMP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178300869 526589791 /nfs/dbraw/zinc/58/97/91/526589791.db2.gz SGOOEBQQRPXBFM-ZDUSSCGKSA-N 2 1 305.382 0.668 10 30 DCEEMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178300869 526589794 /nfs/dbraw/zinc/58/97/94/526589794.db2.gz SGOOEBQQRPXBFM-ZDUSSCGKSA-N 2 1 305.382 0.668 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000262480839 528809316 /nfs/dbraw/zinc/80/93/16/528809316.db2.gz RMUODRQTEXIXQW-JKSUJKDBSA-N 2 1 323.485 0.453 10 30 DCEEMP C=CCNC(=O)C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863048 415637201 /nfs/dbraw/zinc/63/72/01/415637201.db2.gz HUYYNFIXZNKCML-UHFFFAOYSA-N 2 1 305.426 0.582 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262478053 526370168 /nfs/dbraw/zinc/37/01/68/526370168.db2.gz QQLPRDVRFSADFK-ZFWWWQNUSA-N 2 1 304.442 0.879 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262753095 526373100 /nfs/dbraw/zinc/37/31/00/526373100.db2.gz GYSJHBWZBDAOIB-GDBMZVCRSA-N 2 1 323.485 0.499 10 30 DCEEMP C[NH+]=C(NC[C@@H]1COCCO1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262814472 526373514 /nfs/dbraw/zinc/37/35/14/526373514.db2.gz ROHFTQHRKYHRAR-DZGCQCFKSA-N 2 1 310.442 0.584 10 30 DCEEMP C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262800410 526375942 /nfs/dbraw/zinc/37/59/42/526375942.db2.gz QZBLTKXHHYWTOH-KKZNHRDASA-N 2 1 308.348 0.700 10 30 DCEEMP CC[N@@H+](CCNC(=[NH+]C)N1CCC[C@@]2(CNC(=O)C2)C1)C(C)C ZINC000261819972 528475905 /nfs/dbraw/zinc/47/59/05/528475905.db2.gz UJOWPZHAFWWXPY-QGZVFWFLSA-N 2 1 323.485 0.894 10 30 DCEEMP CC[NH+]=C(NCC[N@H+](C)CC)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261725185 528828984 /nfs/dbraw/zinc/82/89/84/528828984.db2.gz IUKAAKLNERZYPX-MRXNPFEDSA-N 2 1 309.458 0.506 10 30 DCEEMP CC[NH+]=C(NCC[N@@H+](C)CC)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261725185 528828989 /nfs/dbraw/zinc/82/89/89/528828989.db2.gz IUKAAKLNERZYPX-MRXNPFEDSA-N 2 1 309.458 0.506 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000262439156 526370208 /nfs/dbraw/zinc/37/02/08/526370208.db2.gz HDEMNONNVFBWTC-LSDHHAIUSA-N 2 1 309.458 0.063 10 30 DCEEMP C[NH+]=C(NCC[N@@H+](C)C(C)C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261757772 526413111 /nfs/dbraw/zinc/41/31/11/526413111.db2.gz MPSMICLMNRGEFC-MRXNPFEDSA-N 2 1 309.458 0.504 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCc1ccco1 ZINC000303771042 685205854 /nfs/dbraw/zinc/20/58/54/685205854.db2.gz CGRZIZGZVDSURX-GFCCVEGCSA-N 2 1 307.398 0.284 10 30 DCEEMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193611926 395773707 /nfs/dbraw/zinc/77/37/07/395773707.db2.gz RDTWQEBIIZIZBG-XHSDSOJGSA-N 2 1 301.390 0.791 10 30 DCEEMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193611926 395773709 /nfs/dbraw/zinc/77/37/09/395773709.db2.gz RDTWQEBIIZIZBG-XHSDSOJGSA-N 2 1 301.390 0.791 10 30 DCEEMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193611926 395773711 /nfs/dbraw/zinc/77/37/11/395773711.db2.gz RDTWQEBIIZIZBG-XHSDSOJGSA-N 2 1 301.390 0.791 10 30 DCEEMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193611926 395773713 /nfs/dbraw/zinc/77/37/13/395773713.db2.gz RDTWQEBIIZIZBG-XHSDSOJGSA-N 2 1 301.390 0.791 10 30 DCEEMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261656329 526374415 /nfs/dbraw/zinc/37/44/15/526374415.db2.gz BIOWPJZPVRNGCH-ZDUSSCGKSA-N 2 1 311.474 0.843 10 30 DCEEMP C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262800413 526376219 /nfs/dbraw/zinc/37/62/19/526376219.db2.gz QZBLTKXHHYWTOH-NGZCFLSTSA-N 2 1 308.348 0.700 10 30 DCEEMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CCN(Cc2ccon2)CC1 ZINC000261769847 526377457 /nfs/dbraw/zinc/37/74/57/526377457.db2.gz NWVKHQXJKJNIPG-OAHLLOKOSA-N 2 1 320.441 0.462 10 30 DCEEMP CC[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261937508 528819938 /nfs/dbraw/zinc/81/99/38/528819938.db2.gz CTILMADIRFXYTG-GXFFZTMASA-N 2 1 306.414 0.916 10 30 DCEEMP COC[C@@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303779006 685206972 /nfs/dbraw/zinc/20/69/72/685206972.db2.gz KHMTUWJWEPXJPI-CQSZACIVSA-N 2 1 320.437 0.958 10 30 DCEEMP Cc1nn(C)c(C)c1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303879521 685208489 /nfs/dbraw/zinc/20/84/89/685208489.db2.gz JPZFXOLVWGFYKU-UHFFFAOYSA-N 2 1 322.457 0.206 10 30 DCEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)CC1 ZINC000174601239 340392705 /nfs/dbraw/zinc/39/27/05/340392705.db2.gz MNILAHPZZZJRLM-NVXWUHKLSA-N 2 1 321.465 0.635 10 30 DCEEMP C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261792878 526374498 /nfs/dbraw/zinc/37/44/98/526374498.db2.gz QPTHKOVFCIIEBS-SUMWQHHRSA-N 2 1 321.469 0.647 10 30 DCEEMP C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000132231538 669709327 /nfs/dbraw/zinc/70/93/27/669709327.db2.gz ACDGAVWQNSWUTF-UONOGXRCSA-N 2 1 304.442 0.982 10 30 DCEEMP C=CCNC(=O)[C@@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119644749 415746633 /nfs/dbraw/zinc/74/66/33/415746633.db2.gz YWQFFVJQGAUKPZ-VPSFDDGASA-N 2 1 320.481 0.920 10 30 DCEEMP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515627 416326546 /nfs/dbraw/zinc/32/65/46/416326546.db2.gz XHLFNRLGKNJEOE-ZDUSSCGKSA-N 2 1 317.393 0.827 10 30 DCEEMP C=CCNC(=O)NC(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000195515627 416326547 /nfs/dbraw/zinc/32/65/47/416326547.db2.gz XHLFNRLGKNJEOE-ZDUSSCGKSA-N 2 1 317.393 0.827 10 30 DCEEMP C[NH+]=C(NCCn1cncn1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262922717 526369347 /nfs/dbraw/zinc/36/93/47/526369347.db2.gz LBZDGLSQWXXVEZ-CYBMUJFWSA-N 2 1 305.430 0.460 10 30 DCEEMP C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261955195 526392505 /nfs/dbraw/zinc/39/25/05/526392505.db2.gz INXSJKWQPQXTCW-WCQYABFASA-N 2 1 307.446 0.517 10 30 DCEEMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH+]C)N1CCN(C2CC2)C(=O)C1 ZINC000262817229 528996800 /nfs/dbraw/zinc/99/68/00/528996800.db2.gz VYHODIGWSBQIDN-OAHLLOKOSA-N 2 1 321.469 0.743 10 30 DCEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH+]C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261699487 285253829 /nfs/dbraw/zinc/25/38/29/285253829.db2.gz FYTNHZUSKLKLJA-RHSMWYFYSA-N 2 1 321.469 0.648 10 30 DCEEMP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000541859030 396610598 /nfs/dbraw/zinc/61/05/98/396610598.db2.gz HIWRDBHGBQPAEC-ZDUSSCGKSA-N 2 1 306.410 0.691 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261689206 278167930 /nfs/dbraw/zinc/16/79/30/278167930.db2.gz DYFQRCAYVLQRCT-WMLDXEAASA-N 2 1 321.469 0.506 10 30 DCEEMP CO[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1OC ZINC000330175627 336120881 /nfs/dbraw/zinc/12/08/81/336120881.db2.gz JHMBDGHVLIGFHY-GASCZTMLSA-N 2 1 311.426 0.915 10 30 DCEEMP CO[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1OC ZINC000330175627 336120882 /nfs/dbraw/zinc/12/08/82/336120882.db2.gz JHMBDGHVLIGFHY-GASCZTMLSA-N 2 1 311.426 0.915 10 30 DCEEMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000262431011 526354747 /nfs/dbraw/zinc/35/47/47/526354747.db2.gz DZOFMXBHLITSEE-HNNXBMFYSA-N 2 1 309.458 0.063 10 30 DCEEMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000262431011 526354750 /nfs/dbraw/zinc/35/47/50/526354750.db2.gz DZOFMXBHLITSEE-HNNXBMFYSA-N 2 1 309.458 0.063 10 30 DCEEMP C[NH+]=C(NC[C@@H](C)[NH+](C)C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261656325 526369194 /nfs/dbraw/zinc/36/91/94/526369194.db2.gz BIOWPJZPVRNGCH-CYBMUJFWSA-N 2 1 311.474 0.843 10 30 DCEEMP C[NH+]=C(NCc1cccc(OC)n1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262835453 526384061 /nfs/dbraw/zinc/38/40/61/526384061.db2.gz WEVMXGOJIGTRPY-CYBMUJFWSA-N 2 1 303.410 0.992 10 30 DCEEMP C[NH+]=C(NCc1cccc(OC)n1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262835453 526384068 /nfs/dbraw/zinc/38/40/68/526384068.db2.gz WEVMXGOJIGTRPY-CYBMUJFWSA-N 2 1 303.410 0.992 10 30 DCEEMP C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000261951595 526392538 /nfs/dbraw/zinc/39/25/38/526392538.db2.gz HOJUECSLMUTNHB-CYBMUJFWSA-N 2 1 319.457 0.805 10 30 DCEEMP C=CCNC(=O)[C@@H](C)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863281 415637749 /nfs/dbraw/zinc/63/77/49/415637749.db2.gz KFYZVENLQYSQFX-OAHLLOKOSA-N 2 1 319.453 0.970 10 30 DCEEMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261835855 526371830 /nfs/dbraw/zinc/37/18/30/526371830.db2.gz JKUKNWUBJRXFRA-AWEZNQCLSA-N 2 1 323.485 0.845 10 30 DCEEMP CC[N@@H+](CCNC(=[NH+]C)N1CCC[C@]2(CNC(=O)C2)C1)C(C)C ZINC000261819969 528475632 /nfs/dbraw/zinc/47/56/32/528475632.db2.gz UJOWPZHAFWWXPY-KRWDZBQOSA-N 2 1 323.485 0.894 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261655980 528812473 /nfs/dbraw/zinc/81/24/73/528812473.db2.gz ADLFBDOBAZXANA-RRFJBIMHSA-N 2 1 312.458 0.686 10 30 DCEEMP CN(C)c1ncccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000170912984 659398316 /nfs/dbraw/zinc/39/83/16/659398316.db2.gz FRKPIYJLQDWTMG-UHFFFAOYSA-N 2 1 320.441 0.274 10 30 DCEEMP CNC(=O)C(C)(C)CNC(N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)=[NH+]C ZINC000261983358 661941817 /nfs/dbraw/zinc/94/18/17/661941817.db2.gz PJWIZBYOELWAMA-QWHCGFSZSA-N 2 1 311.474 0.652 10 30 DCEEMP C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000132231991 669709241 /nfs/dbraw/zinc/70/92/41/669709241.db2.gz ACDGAVWQNSWUTF-ZIAGYGMSSA-N 2 1 304.442 0.982 10 30 DCEEMP CN1CCC(CNC(=[NH2+])N2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000262538488 530048365 /nfs/dbraw/zinc/04/83/65/530048365.db2.gz QQISKGDICPPNCN-UHFFFAOYSA-N 2 1 323.485 0.584 10 30 DCEEMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876631 397509014 /nfs/dbraw/zinc/50/90/14/397509014.db2.gz HPDHTWHBTLXFFX-ZDUSSCGKSA-N 2 1 308.426 0.804 10 30 DCEEMP C=CC[NH+]1CCC(NS(=O)(=O)CC[NH+](CC)CC)CC1 ZINC000352276062 416315315 /nfs/dbraw/zinc/31/53/15/416315315.db2.gz RGTYAMHNZAPSNP-UHFFFAOYSA-N 2 1 303.472 0.898 10 30 DCEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000634703158 417526110 /nfs/dbraw/zinc/52/61/10/417526110.db2.gz QXYHDBOXDRYQLE-MRXNPFEDSA-N 2 1 312.454 0.909 10 30 DCEEMP CC[NH+]=C(NCC[N@H+](C)C1CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261795126 276095463 /nfs/dbraw/zinc/09/54/63/276095463.db2.gz QVOLXNLPATVOPA-QGZVFWFLSA-N 2 1 321.469 0.648 10 30 DCEEMP CC[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261795126 276095464 /nfs/dbraw/zinc/09/54/64/276095464.db2.gz QVOLXNLPATVOPA-QGZVFWFLSA-N 2 1 321.469 0.648 10 30 DCEEMP C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261952716 526346901 /nfs/dbraw/zinc/34/69/01/526346901.db2.gz HUENXHAGKMFXKK-WCQYABFASA-N 2 1 309.458 0.549 10 30 DCEEMP CO[C@@H]1C[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1OC ZINC000330175628 336120665 /nfs/dbraw/zinc/12/06/65/336120665.db2.gz JHMBDGHVLIGFHY-HUUCEWRRSA-N 2 1 311.426 0.915 10 30 DCEEMP C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245693456 526345638 /nfs/dbraw/zinc/34/56/38/526345638.db2.gz WMPMRKVRQVTIEC-ZIAGYGMSSA-N 2 1 309.458 0.503 10 30 DCEEMP C[NH+]=C(NCCN1CCOCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262978975 526360055 /nfs/dbraw/zinc/36/00/55/526360055.db2.gz TUTISTVNWOXNSZ-OAHLLOKOSA-N 2 1 323.485 0.501 10 30 DCEEMP C=CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245421594 526631719 /nfs/dbraw/zinc/63/17/19/526631719.db2.gz IARADPIFXHUMRB-JKSUJKDBSA-N 2 1 308.470 0.779 10 30 DCEEMP C=CCNC(=O)[C@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245421594 526631724 /nfs/dbraw/zinc/63/17/24/526631724.db2.gz IARADPIFXHUMRB-JKSUJKDBSA-N 2 1 308.470 0.779 10 30 DCEEMP CC[N@H+]1CCCC[C@H]1CNC(=[NH+]C)N1CCN(C2CC2)C(=O)C1 ZINC000262817228 529008640 /nfs/dbraw/zinc/00/86/40/529008640.db2.gz VYHODIGWSBQIDN-HNNXBMFYSA-N 2 1 321.469 0.743 10 30 DCEEMP CCN(CCC#N)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171589103 416039640 /nfs/dbraw/zinc/03/96/40/416039640.db2.gz FJMLETJQEMXSQV-HNNXBMFYSA-N 2 1 324.469 0.773 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H](O)CC)CC2)CC1 ZINC000181722002 396241533 /nfs/dbraw/zinc/24/15/33/396241533.db2.gz RKOIGZNCCGJRMQ-INIZCTEOSA-N 2 1 324.469 0.735 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000458319350 397429240 /nfs/dbraw/zinc/42/92/40/397429240.db2.gz GASYMEHUNNVQMK-CQSZACIVSA-N 2 1 310.442 0.345 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CCO)C[C@H]2C)CC1 ZINC000458319350 397429245 /nfs/dbraw/zinc/42/92/45/397429245.db2.gz GASYMEHUNNVQMK-CQSZACIVSA-N 2 1 310.442 0.345 10 30 DCEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261840597 278167906 /nfs/dbraw/zinc/16/79/06/278167906.db2.gz WOCQWGSGHVEGOE-WMLDXEAASA-N 2 1 321.469 0.648 10 30 DCEEMP C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261715030 526366626 /nfs/dbraw/zinc/36/66/26/526366626.db2.gz HQQWCQQNKOLJHL-ZWNOBZJWSA-N 2 1 306.414 0.568 10 30 DCEEMP C[NH+]=C(NCc1ccnn1C)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262791357 526387660 /nfs/dbraw/zinc/38/76/60/526387660.db2.gz OEKJHDFAWCCLGQ-AWEZNQCLSA-N 2 1 310.471 0.522 10 30 DCEEMP C[NH+]=C(NCCN1CCOCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262978972 526359773 /nfs/dbraw/zinc/35/97/73/526359773.db2.gz TUTISTVNWOXNSZ-HNNXBMFYSA-N 2 1 323.485 0.501 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419458433 416402276 /nfs/dbraw/zinc/40/22/76/416402276.db2.gz ZUQITWFNAVBJTP-GJZGRUSLSA-N 2 1 324.469 0.733 10 30 DCEEMP C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261792874 526374421 /nfs/dbraw/zinc/37/44/21/526374421.db2.gz QPTHKOVFCIIEBS-GUYCJALGSA-N 2 1 321.469 0.647 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000172336185 396130436 /nfs/dbraw/zinc/13/04/36/396130436.db2.gz JNXTTZQQVURMEM-OAHLLOKOSA-N 2 1 324.469 0.999 10 30 DCEEMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000172336185 396130438 /nfs/dbraw/zinc/13/04/38/396130438.db2.gz JNXTTZQQVURMEM-OAHLLOKOSA-N 2 1 324.469 0.999 10 30 DCEEMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@H](N2CCOCC2)C1 ZINC000262493598 526367826 /nfs/dbraw/zinc/36/78/26/526367826.db2.gz VQIKRIHZEVNHDB-HNNXBMFYSA-N 2 1 320.441 0.173 10 30 DCEEMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261990722 526392439 /nfs/dbraw/zinc/39/24/39/526392439.db2.gz RDUIKYDLKGNTDP-CHWSQXEVSA-N 2 1 319.457 0.618 10 30 DCEEMP CCn1cnnc1CNC(N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)=[NH+]C ZINC000158262655 664532535 /nfs/dbraw/zinc/53/25/35/664532535.db2.gz WKDXQGOHNFYHPH-QWHCGFSZSA-N 2 1 307.446 0.692 10 30 DCEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+]1CCOC ZINC000303973005 685209700 /nfs/dbraw/zinc/20/97/00/685209700.db2.gz GICMZCGWBWQPCQ-GJZGRUSLSA-N 3 1 311.474 0.486 10 30 DCEEMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000303973005 685209704 /nfs/dbraw/zinc/20/97/04/685209704.db2.gz GICMZCGWBWQPCQ-GJZGRUSLSA-N 3 1 311.474 0.486 10 30 DCEEMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCOC ZINC000303973005 685209710 /nfs/dbraw/zinc/20/97/10/685209710.db2.gz GICMZCGWBWQPCQ-GJZGRUSLSA-N 3 1 311.474 0.486 10 30 DCEEMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN1CCOC ZINC000303973005 685209712 /nfs/dbraw/zinc/20/97/12/685209712.db2.gz GICMZCGWBWQPCQ-GJZGRUSLSA-N 2 1 311.474 0.486 10 30 DCEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN1CCOC ZINC000303973005 685209718 /nfs/dbraw/zinc/20/97/18/685209718.db2.gz GICMZCGWBWQPCQ-GJZGRUSLSA-N 2 1 311.474 0.486 10 30 DCEEMP