smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3N)c(=O)[nH]2)c1 ZINC000003491453 204009694 /nfs/dbraw/zinc/00/96/94/204009694.db2.gz AVPZMYMIPXTSMM-UHFFFAOYSA-N 0 2 395.444 2.760 50 0 GFAALN COC(=O)c1cn(NC(=O)c2ccc(Br)o2)c(=O)c2ccccc12 ZINC000003630732 204017316 /nfs/dbraw/zinc/01/73/16/204017316.db2.gz SJOYVEQKYNYKMX-UHFFFAOYSA-N 0 2 391.177 2.528 50 0 GFAALN O=C(c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)s1)N1CCCC1 ZINC000009807537 204324876 /nfs/dbraw/zinc/32/48/76/204324876.db2.gz SUQFCPJCJPCNFT-UHFFFAOYSA-N 0 2 380.447 2.514 50 0 GFAALN COc1ccc(OC)c(NC(C)=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 ZINC000009108574 204298761 /nfs/dbraw/zinc/29/87/61/204298761.db2.gz ZPOFYRBSIDKNMG-AQTBWJFISA-N 0 2 395.415 2.981 50 0 GFAALN Cc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)cc1C ZINC000065128903 205211560 /nfs/dbraw/zinc/21/15/60/205211560.db2.gz FEMUUTPNSDLKRF-UHFFFAOYSA-N 0 2 375.475 2.926 50 0 GFAALN CC(=O)C(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N(C)C ZINC000059499304 206211536 /nfs/dbraw/zinc/21/15/36/206211536.db2.gz XDRUWACXQNQFIW-QGZVFWFLSA-N 0 2 381.457 2.524 50 0 GFAALN CC(=O)[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N(C)C ZINC000059499304 206211541 /nfs/dbraw/zinc/21/15/41/206211541.db2.gz XDRUWACXQNQFIW-QGZVFWFLSA-N 0 2 381.457 2.524 50 0 GFAALN Cc1cccc([C@H](C)Nc2nc(N3CCOCC3)c(C(C)(C)C(=O)[O-])c[nH+]2)n1 ZINC000096141937 136184346 /nfs/dbraw/zinc/18/43/46/136184346.db2.gz NIOHMJIYRCCZRR-AWEZNQCLSA-N 0 2 385.468 2.552 50 0 GFAALN CC1(C)[C@H](C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)CC[C@@]1(C)C(=O)[O-] ZINC000096118986 527852845 /nfs/dbraw/zinc/85/28/45/527852845.db2.gz HFUAESWMTIGHCA-UWJYYQICSA-N 0 2 376.472 2.997 50 0 GFAALN COc1ccc(CCNC(=O)c2csc(Nc3ncccn3)n2)cc1OC ZINC000049032187 570261232 /nfs/dbraw/zinc/26/12/32/570261232.db2.gz DJSNVOPPTCYLFL-UHFFFAOYSA-N 0 2 385.449 2.666 50 0 GFAALN CS(=O)(=O)Nc1nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2s1 ZINC000015861960 570278535 /nfs/dbraw/zinc/27/85/35/570278535.db2.gz JAKBNSASPLHWFQ-UHFFFAOYSA-N 0 2 391.430 2.649 50 0 GFAALN Cc1ccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[nH]2)cc1Cl ZINC000034767840 570333482 /nfs/dbraw/zinc/33/34/82/570333482.db2.gz AJXYIWKRRXHYTO-UHFFFAOYSA-N 0 2 383.839 2.850 50 0 GFAALN Cc1ccc(S(=O)(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)s1 ZINC000206847013 570756006 /nfs/dbraw/zinc/75/60/06/570756006.db2.gz RVUDAKLCRIXJLI-AWEZNQCLSA-N 0 2 391.474 2.894 50 0 GFAALN O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000001282710 570954051 /nfs/dbraw/zinc/95/40/51/570954051.db2.gz OBLXWLDXWLTJCF-UHFFFAOYSA-N 0 2 381.628 2.562 50 0 GFAALN CN1C(=O)N[C@H](c2cccnc2)C(=C(O)c2cccs2)[C@]1(O)C(F)(F)F ZINC000004140269 204029429 /nfs/dbraw/zinc/02/94/29/204029429.db2.gz FOMXGRXQNHKVHM-ZOWXZIJZSA-N 0 2 385.367 2.589 50 0 GFAALN O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000006726489 204195644 /nfs/dbraw/zinc/19/56/44/204195644.db2.gz NXXBTQPXCGPQEY-AZCNDBBASA-N 0 2 382.504 2.981 50 0 GFAALN CCc1c(O)nc(SCC(=O)Nc2nc3ccc(C)cc3s2)[nH]c1=O ZINC000009191412 204302105 /nfs/dbraw/zinc/30/21/05/204302105.db2.gz JBRCWKICTHBJLJ-UHFFFAOYSA-N 0 2 376.463 2.687 50 0 GFAALN COC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)OC ZINC000059842273 205179517 /nfs/dbraw/zinc/17/95/17/205179517.db2.gz MLWAVAWHNCDDPD-UHFFFAOYSA-N 0 2 389.838 2.776 50 0 GFAALN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCCC2)n(C)c1C ZINC000064922310 205200703 /nfs/dbraw/zinc/20/07/03/205200703.db2.gz CTVYFUVFCJBUAI-UHFFFAOYSA-N 0 2 391.493 2.769 50 0 GFAALN Cn1c2ccccc2nc1-c1ccc(CN2CCc3[nH+]c[nH]c3[C@@H]2C(=O)[O-])o1 ZINC000072458304 205353119 /nfs/dbraw/zinc/35/31/19/205353119.db2.gz UHTCBAGHIKXXCE-GOSISDBHSA-N 0 2 377.404 2.740 50 0 GFAALN Cc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)C(C)(C)C)CC3)no1 ZINC000077376910 205360654 /nfs/dbraw/zinc/36/06/54/205360654.db2.gz HXBUIENLPRUQFN-UHFFFAOYSA-N 0 2 377.466 2.715 50 0 GFAALN C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)[C@@H]1CCCO1 ZINC000078597033 205375592 /nfs/dbraw/zinc/37/55/92/205375592.db2.gz YBQFZZMUBCLJQN-NHYWBVRUSA-N 0 2 396.490 2.552 50 0 GFAALN Cc1cccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)N2)c1 ZINC000004853608 205753593 /nfs/dbraw/zinc/75/35/93/205753593.db2.gz KIUOMSZUOMDXDL-UHFFFAOYSA-N 0 2 379.438 2.976 50 0 GFAALN CCCCC12C3C4C1C1C(C3C4(Br)C13OCCO3)C21OCCO1 ZINC000252428368 553149663 /nfs/dbraw/zinc/14/96/63/553149663.db2.gz ZTNRQRIGEAIPNV-FDJNSHFRSA-N 0 2 383.282 2.548 50 0 GFAALN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccn(-c4ccccc4)n3)ccc21 ZINC000001164117 570252376 /nfs/dbraw/zinc/25/23/76/570252376.db2.gz LPTRRFNVJOZHMV-UHFFFAOYSA-N 0 2 382.445 2.582 50 0 GFAALN CC[C@H](NC(=O)c1cc(C)[nH]c2nc(=O)[nH]c(=O)c1-2)C12CC3CC(CC(C3)C1)C2 ZINC000020607262 570271305 /nfs/dbraw/zinc/27/13/05/570271305.db2.gz YHDKKOZGXYWBNS-UTQJESMHSA-N 0 2 396.491 2.645 50 0 GFAALN COc1ccccc1NS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1Cl ZINC000035378094 570346464 /nfs/dbraw/zinc/34/64/64/570346464.db2.gz YHHSTLXUNLETSR-UHFFFAOYSA-N 0 2 391.836 2.900 50 0 GFAALN O=S(=O)(Nc1ncn(Cc2ccccc2)n1)c1ccc(Br)s1 ZINC000002803784 570517336 /nfs/dbraw/zinc/51/73/36/570517336.db2.gz KMCKNEIIZDVTQN-UHFFFAOYSA-N 0 2 399.295 2.951 50 0 GFAALN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3O)cc2)n1 ZINC000000947984 570734655 /nfs/dbraw/zinc/73/46/55/570734655.db2.gz GBTFLXNNSRLSAA-UHFFFAOYSA-N 0 2 398.444 2.852 50 0 GFAALN O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1F ZINC000005881841 570801054 /nfs/dbraw/zinc/80/10/54/570801054.db2.gz LCTMTSUNEHNLSV-UHFFFAOYSA-N 0 2 398.481 2.801 50 0 GFAALN Cc1ccc(-n2c(O)c([C@@H]3OCc4cnc(C)c(O)c43)c(=O)[nH]c2=S)cc1 ZINC000002146253 570836388 /nfs/dbraw/zinc/83/63/88/570836388.db2.gz BCQKLBNVTRWDCM-MRXNPFEDSA-N 0 2 383.429 2.938 50 0 GFAALN CCn1c(=O)c2ccc(C(=O)N[C@H](C)CC[C@H]3CCCO3)cc2[nH]c1=S ZINC000102043483 570839612 /nfs/dbraw/zinc/83/96/12/570839612.db2.gz KVFUDCGVNDOCDO-TZMCWYRMSA-N 0 2 375.494 2.783 50 0 GFAALN O=C(Nc1ccc(OCc2cc(=O)n3nc[nH]c3n2)cc1)c1ccc(Cl)cc1 ZINC000102621527 570854374 /nfs/dbraw/zinc/85/43/74/570854374.db2.gz WVRXTZMGTPKOBE-UHFFFAOYSA-N 0 2 395.806 2.902 50 0 GFAALN Cc1nnc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)s2)o1 ZINC000064920057 205200807 /nfs/dbraw/zinc/20/08/07/205200807.db2.gz BIKDOIHPXWYZLJ-UHFFFAOYSA-N 0 2 379.419 2.679 50 0 GFAALN Cc1cc(=O)n2nc(CN(C(=O)c3ccccc3F)c3ccc(F)cc3)[nH]c2n1 ZINC000064580109 205192414 /nfs/dbraw/zinc/19/24/14/205192414.db2.gz RSKMAUJTTCTCFB-UHFFFAOYSA-N 0 2 395.369 2.851 50 0 GFAALN NS(=O)(=O)c1ccc(CCn2c(=O)c3ccc(Cl)cc3[nH]c2=S)cc1 ZINC000003043398 551092448 /nfs/dbraw/zinc/09/24/48/551092448.db2.gz XBLYTXZYZPOOIE-UHFFFAOYSA-N 0 2 395.893 2.603 50 0 GFAALN O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccnc1Cl ZINC000022758757 551118266 /nfs/dbraw/zinc/11/82/66/551118266.db2.gz RAXMYYZSOONQHJ-UHFFFAOYSA-N 0 2 376.829 2.524 50 0 GFAALN CC(=O)c1cc(-n2nc3ccccc3n2)c(O)c(-n2nc3ccccc3n2)c1O ZINC000001041097 570237658 /nfs/dbraw/zinc/23/76/58/570237658.db2.gz NYMOLOKTUDWTBP-UHFFFAOYSA-N 0 2 386.371 2.768 50 0 GFAALN CC1(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)COC1 ZINC000112695858 570254534 /nfs/dbraw/zinc/25/45/34/570254534.db2.gz AXDRDWDJINXCCX-UHFFFAOYSA-N 0 2 384.461 2.879 50 0 GFAALN Cc1cc2ncc(C(=O)N3CCCC[C@@H]3CCc3cccc(O)c3)c(=O)n2[nH]1 ZINC000102815614 570256459 /nfs/dbraw/zinc/25/64/59/570256459.db2.gz HPSVDUOWFVKLSY-MRXNPFEDSA-N 0 2 380.448 2.664 50 0 GFAALN CCCCn1c(=O)c(C2=NN[C@H](c3ccc(O)c(OC)c3)C2)c(O)[nH]c1=S ZINC000015834774 570271371 /nfs/dbraw/zinc/27/13/71/570271371.db2.gz GQUWSKJFDYYWPB-NSHDSACASA-N 0 2 390.465 2.564 50 0 GFAALN CCCCn1c(O)c(C2=NN[C@H](c3ccc(O)c(OC)c3)C2)c(=O)[nH]c1=S ZINC000015834774 570271373 /nfs/dbraw/zinc/27/13/73/570271373.db2.gz GQUWSKJFDYYWPB-NSHDSACASA-N 0 2 390.465 2.564 50 0 GFAALN CC(C)(C)OC(=O)N[C@@H](Cc1cn(COCc2ccccc2)c[nH+]1)C(=O)[O-] ZINC000002391083 570285600 /nfs/dbraw/zinc/28/56/00/570285600.db2.gz IEAOAWZLUGOPJX-INIZCTEOSA-N 0 2 375.425 2.578 50 0 GFAALN COc1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1OC ZINC000002647256 570292636 /nfs/dbraw/zinc/29/26/36/570292636.db2.gz WVSFDNZPWGOGLR-HNNXBMFYSA-N 0 2 377.466 2.516 50 0 GFAALN COc1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1OC ZINC000002647256 570292638 /nfs/dbraw/zinc/29/26/38/570292638.db2.gz WVSFDNZPWGOGLR-HNNXBMFYSA-N 0 2 377.466 2.516 50 0 GFAALN O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(Br)cc1 ZINC000022195149 570307298 /nfs/dbraw/zinc/30/72/98/570307298.db2.gz IODIJRNEXNMBJT-LBPRGKRZSA-N 0 2 382.283 2.872 50 0 GFAALN O=C(CC1SC(N2CCCC2)=NC1=O)Nc1ccc(Br)cc1 ZINC000022195149 570307300 /nfs/dbraw/zinc/30/73/00/570307300.db2.gz IODIJRNEXNMBJT-LBPRGKRZSA-N 0 2 382.283 2.872 50 0 GFAALN COc1cccc(CN(C)c2ccc(S(=O)(=O)Nc3ccccn3)cn2)c1 ZINC000024528897 570385227 /nfs/dbraw/zinc/38/52/27/570385227.db2.gz FJHHGIAWPZWMEQ-UHFFFAOYSA-N 0 2 384.461 2.922 50 0 GFAALN O=C([O-])[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000238093110 570424394 /nfs/dbraw/zinc/42/43/94/570424394.db2.gz AHKRMOLLHWCPFL-WIYYLYMNSA-N 0 2 391.471 2.965 50 0 GFAALN O=C([O-])[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000238093110 570424399 /nfs/dbraw/zinc/42/43/99/570424399.db2.gz AHKRMOLLHWCPFL-WIYYLYMNSA-N 0 2 391.471 2.965 50 0 GFAALN O=C1N[C@H](c2cccc(F)c2)C(=C(O)c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000004387411 570731758 /nfs/dbraw/zinc/73/17/58/570731758.db2.gz UVQRIPDTBBUCDQ-JMSVASOKSA-N 0 2 388.342 2.991 50 0 GFAALN Cn1c(=O)[nH]c(O)c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c1=O ZINC000101495311 570825092 /nfs/dbraw/zinc/82/50/92/570825092.db2.gz KONLCDTWWZUSTN-MRXNPFEDSA-N 0 2 395.440 2.843 50 0 GFAALN Cn1c(O)c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c(=O)[nH]c1=O ZINC000101495311 570825093 /nfs/dbraw/zinc/82/50/93/570825093.db2.gz KONLCDTWWZUSTN-MRXNPFEDSA-N 0 2 395.440 2.843 50 0 GFAALN COc1ccccc1NCc1nn2c(nc(C)c(Cc3ccccc3)c2=O)[nH]1 ZINC000101802734 570835298 /nfs/dbraw/zinc/83/52/98/570835298.db2.gz NDQHOTQNMIXQMM-UHFFFAOYSA-N 0 2 375.432 2.938 50 0 GFAALN CCOc1ccc(N(Cc2nn3c(nc(C)cc3=O)[nH]2)C(=O)CC(C)C)cc1 ZINC000101802445 570835360 /nfs/dbraw/zinc/83/53/60/570835360.db2.gz FSJLEHFRJNLFKJ-UHFFFAOYSA-N 0 2 383.452 2.704 50 0 GFAALN COc1ccc(C(C)=O)cc1CSCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012697153 570964866 /nfs/dbraw/zinc/96/48/66/570964866.db2.gz XQQPOGLHZYAZPH-UHFFFAOYSA-N 0 2 399.516 2.875 50 0 GFAALN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)Nc1ccc(OC)cc1OC ZINC000006887582 204220331 /nfs/dbraw/zinc/22/03/31/204220331.db2.gz YAAUOMLUQXPXGA-UHFFFAOYSA-N 0 2 396.465 2.637 50 0 GFAALN COC(=O)CSc1nn2c(nc(C)c(Cc3ccccc3Cl)c2=O)[nH]1 ZINC000009305451 204305235 /nfs/dbraw/zinc/30/52/35/204305235.db2.gz SVHQWVHWOZMBNS-UHFFFAOYSA-N 0 2 378.841 2.648 50 0 GFAALN Cc1nc(C)c(S(=O)(=O)Nc2ccc(OCc3nccn3C)cc2)s1 ZINC000079052796 205379581 /nfs/dbraw/zinc/37/95/81/205379581.db2.gz YWGWDDHYQJXRHB-UHFFFAOYSA-N 0 2 378.479 2.873 50 0 GFAALN CCn1cc(S(=O)(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)cn1 ZINC000002804561 517880730 /nfs/dbraw/zinc/88/07/30/517880730.db2.gz YABMYNFDNCXFTK-UHFFFAOYSA-N 0 2 399.398 2.967 50 0 GFAALN 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biogenic,in-vitro GFAALN COc1ccc(Cc2nnc(NS(=O)(=O)c3ccc(OC)cc3)s2)cc1 ZINC000000789827 570223690 /nfs/dbraw/zinc/22/36/90/570223690.db2.gz IKJLSRGZJRPIJK-UHFFFAOYSA-N 0 2 391.474 2.947 50 0 GFAALN O=C(Cn1[nH]c(-c2ccc(Cl)cc2)cc1=O)Nc1ccc2c(c1)OCCO2 ZINC000049006602 570257983 /nfs/dbraw/zinc/25/79/83/570257983.db2.gz PSMXUMFZYWHXGC-UHFFFAOYSA-N 0 2 385.807 2.907 50 0 GFAALN COc1cccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[nH]2)c1 ZINC000034764625 570333053 /nfs/dbraw/zinc/33/30/53/570333053.db2.gz DSSUBOVQAJSRGP-UHFFFAOYSA-N 0 2 392.459 2.934 50 0 GFAALN COc1ccccc1N(Cc1nn2c(nc(C)cc2=O)[nH]1)C(=O)c1ccccc1 ZINC000086066876 570735741 /nfs/dbraw/zinc/73/57/41/570735741.db2.gz HLBLXVMPKKEONN-UHFFFAOYSA-N 0 2 389.415 2.582 50 0 GFAALN O=C1[C@H]2ON=C(c3ccc(Br)cc3)C2=C(O)N1c1ccccc1F ZINC000100835217 570776445 /nfs/dbraw/zinc/77/64/45/570776445.db2.gz JHAXBXJQLQNUDP-HIFRSBDPSA-N 0 2 389.180 2.881 50 0 GFAALN CCn1c(=O)c2ccc(C(=O)NCCOc3cccc(C)c3)cc2[nH]c1=S ZINC000018147568 570806403 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CCCCOCCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O ZINC000004550699 204051709 /nfs/dbraw/zinc/05/17/09/204051709.db2.gz VOLLIQCRAVWBFN-LJQANCHMSA-N 0 2 388.439 2.734 50 0 GFAALN Cc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2cccs2)o1 ZINC000005795576 204151232 /nfs/dbraw/zinc/15/12/32/204151232.db2.gz WNWLFAHYKYDPSC-MJVIPROJSA-N 0 2 390.408 2.918 50 0 GFAALN COc1cc(S(=O)(=O)Nc2ncccc2C)c(OC)cc1Br ZINC000006706866 204193617 /nfs/dbraw/zinc/19/36/17/204193617.db2.gz OAXIQTBFIATCTP-UHFFFAOYSA-N 0 2 387.255 2.971 50 0 GFAALN Cc1oc2nc(C[N@H+](C)CCOc3ccc(Cl)cc3)nc(N)c2c1C(=O)[O-] ZINC000008735233 204287683 /nfs/dbraw/zinc/28/76/83/204287683.db2.gz QTMBCMMVNCDFRG-UHFFFAOYSA-N 0 2 390.827 2.976 50 0 GFAALN Cc1oc2nc(C[N@@H+](C)CCOc3ccc(Cl)cc3)nc(N)c2c1C(=O)[O-] ZINC000008735233 204287687 /nfs/dbraw/zinc/28/76/87/204287687.db2.gz QTMBCMMVNCDFRG-UHFFFAOYSA-N 0 2 390.827 2.976 50 0 GFAALN CCC(NN1CCCCCC1)=C1C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O ZINC000009014072 204296884 /nfs/dbraw/zinc/29/68/84/204296884.db2.gz BHQGXWFDMCTBLS-WUKNDPDISA-N 0 2 386.452 2.527 50 0 GFAALN COC(=O)CSc1nn2c(nc(C)c(Cc3ccc(Cl)cc3)c2=O)[nH]1 ZINC000009418833 204309268 /nfs/dbraw/zinc/30/92/68/204309268.db2.gz ZOIIBGOMKWHGQZ-UHFFFAOYSA-N 0 2 378.841 2.648 50 0 GFAALN COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3ccc(Cl)s3)C2=O)cc1 ZINC000014117398 204524093 /nfs/dbraw/zinc/52/40/93/204524093.db2.gz UYCXKECAQIEGMG-INIZCTEOSA-N 0 2 379.825 2.522 50 0 GFAALN CS(=O)(=O)Nc1nc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2s1 ZINC000036357078 205014236 /nfs/dbraw/zinc/01/42/36/205014236.db2.gz DARKZYCGLBCKBA-UHFFFAOYSA-N 0 2 395.491 2.649 50 0 GFAALN O=C([O-])[C@H]1CCN(C(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC000299742824 205096964 /nfs/dbraw/zinc/09/69/64/205096964.db2.gz KSNHMXBOGXHBJH-ZFWWWQNUSA-N 0 2 381.270 2.519 50 0 GFAALN Cc1nn2c(nc(C)c2S(=O)(=O)Nc2cccc(Br)c2)s1 ZINC000065183689 205216137 /nfs/dbraw/zinc/21/61/37/205216137.db2.gz ZPKILPFTSSWULJ-UHFFFAOYSA-N 0 2 387.284 2.971 50 0 GFAALN O=C([O-])CCc1cc2n(n1)CCC[N@H+](Cc1cc(F)ccc1-n1cccn1)C2 ZINC000072422804 205348900 /nfs/dbraw/zinc/34/89/00/205348900.db2.gz XSLWBCZWHGDKNV-UHFFFAOYSA-N 0 2 383.427 2.631 50 0 GFAALN O=C([O-])CCc1cc2n(n1)CCC[N@@H+](Cc1cc(F)ccc1-n1cccn1)C2 ZINC000072422804 205348903 /nfs/dbraw/zinc/34/89/03/205348903.db2.gz XSLWBCZWHGDKNV-UHFFFAOYSA-N 0 2 383.427 2.631 50 0 GFAALN O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(Br)cc1 ZINC000096123386 206119473 /nfs/dbraw/zinc/11/94/73/206119473.db2.gz XJSGGURRCRMLCD-UHFFFAOYSA-N 0 2 386.271 2.798 50 0 GFAALN CCCCN(Cc1ccsc1)C(=O)Cc1nn2c(nc3c(c2=O)CCCC3)[nH]1 ZINC000102507896 570256637 /nfs/dbraw/zinc/25/66/37/570256637.db2.gz NJUUOPRFVHDFGI-UHFFFAOYSA-N 0 2 399.520 2.729 50 0 GFAALN Cc1cc(C)nc(Nc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)n1 ZINC000049029488 570260362 /nfs/dbraw/zinc/26/03/62/570260362.db2.gz MEOLDLBPOLLZHW-UHFFFAOYSA-N 0 2 382.449 2.574 50 0 GFAALN CS(=O)(=O)Nc1nc2ccc(NC(=O)CSc3ccncc3)cc2s1 ZINC000015861975 570278571 /nfs/dbraw/zinc/27/85/71/570278571.db2.gz QFARELMDVTWCSL-UHFFFAOYSA-N 0 2 394.503 2.794 50 0 GFAALN COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(O)nc2ccccn2c1=O ZINC000205974103 570357262 /nfs/dbraw/zinc/35/72/62/570357262.db2.gz VVMZNTZUOVERNI-CYBMUJFWSA-N 0 2 390.342 2.697 50 0 GFAALN CCn1cc(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)c(C)n1 ZINC000002793295 570518005 /nfs/dbraw/zinc/51/80/05/570518005.db2.gz BFTPXJBWWNIGCZ-UHFFFAOYSA-N 0 2 379.873 2.910 50 0 GFAALN CS(=O)(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 ZINC000013122425 570747510 /nfs/dbraw/zinc/74/75/10/570747510.db2.gz WKNLRMNROLNHDJ-HOTGVXAUSA-N 0 2 387.440 2.935 50 0 GFAALN COc1ccc(OC)c(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 ZINC000032817725 570830667 /nfs/dbraw/zinc/83/06/67/570830667.db2.gz PYLRXISVWJEBGU-UHFFFAOYSA-N 0 2 376.438 2.830 50 0 GFAALN CC[C@@H](NC(=O)CCc1c(C)nc2[nH]c(C)nn2c1=O)c1ccc(Cl)cc1 ZINC000102868560 570870111 /nfs/dbraw/zinc/87/01/11/570870111.db2.gz KJMFRCCJDPNOBU-MRXNPFEDSA-N 0 2 387.871 2.888 50 0 GFAALN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2c(nc3cc[nH]n3c2=O)C1 ZINC000102990186 570872376 /nfs/dbraw/zinc/87/23/76/570872376.db2.gz YPXZFSRBDQMCHG-UHFFFAOYSA-N 0 2 377.326 2.632 50 0 GFAALN CC(=O)C(Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N(C)C ZINC000000704995 203848882 /nfs/dbraw/zinc/84/88/82/203848882.db2.gz HENIHHMPBMXZIF-NSHDSACASA-N 0 2 384.255 2.637 50 0 GFAALN CC(=O)[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N(C)C ZINC000000704995 203848887 /nfs/dbraw/zinc/84/88/87/203848887.db2.gz HENIHHMPBMXZIF-NSHDSACASA-N 0 2 384.255 2.637 50 0 GFAALN CCOc1ccc(Cc2nnc(Nc3ccc(OC)c(OC)c3)[nH]c2=O)cc1 ZINC000005154460 204115220 /nfs/dbraw/zinc/11/52/20/204115220.db2.gz ZFTMRNNOROJNHS-UHFFFAOYSA-N 0 2 382.420 2.915 50 0 GFAALN COC(=O)c1c2c(sc1NS(=O)(=O)c1ccc(NC(C)=O)cc1)CCC2 ZINC000006706614 204193399 /nfs/dbraw/zinc/19/33/99/204193399.db2.gz KJFWGQONBCIICR-UHFFFAOYSA-N 0 2 394.474 2.783 50 0 GFAALN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000040156788 205059625 /nfs/dbraw/zinc/05/96/25/205059625.db2.gz 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NC(=O)[C@@H]1CCC[N@@H+]1[C@H](C(=O)[O-])c1c[nH]c2cc(OCc3ccccc3)ccc21 ZINC000020732627 570277570 /nfs/dbraw/zinc/27/75/70/570277570.db2.gz KTDJJSNWLNTZSV-PMACEKPBSA-N 0 2 393.443 2.822 50 0 GFAALN NC(=O)[C@@H]1CCC[N@H+]1[C@H](C(=O)[O-])c1c[nH]c2cc(OCc3ccccc3)ccc21 ZINC000020732627 570277573 /nfs/dbraw/zinc/27/75/73/570277573.db2.gz KTDJJSNWLNTZSV-PMACEKPBSA-N 0 2 393.443 2.822 50 0 GFAALN COc1cc2[nH]c(O)c(C(=O)NCc3ccccc3Cl)c(=O)c2cc1OC ZINC000097466286 570542045 /nfs/dbraw/zinc/54/20/45/570542045.db2.gz FRKSAILPUSNUFX-UHFFFAOYSA-N 0 2 388.807 2.834 50 0 GFAALN COc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)ncn1 ZINC000000939856 570731272 /nfs/dbraw/zinc/73/12/72/570731272.db2.gz FAYOBYROUSFVSB-UHFFFAOYSA-N 0 2 390.465 2.805 50 0 GFAALN CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(Cl)cc4)C3=C2O)cc1 ZINC000101265258 570818160 /nfs/dbraw/zinc/81/81/60/570818160.db2.gz GECRJNLQEGVRKB-WBVHZDCISA-N 0 2 384.775 2.558 50 0 GFAALN CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccccc4Cl)[C@@H]3C2=O)cc1 ZINC000101592240 570826773 /nfs/dbraw/zinc/82/67/73/570826773.db2.gz SCGQRHGURMXRJU-RDJZCZTQSA-N 0 2 384.775 2.558 50 0 GFAALN CCOc1ccc(N(Cc2nn3c(nc(C)cc3=O)[nH]2)C(=O)C(C)(C)C)cc1 ZINC000101802455 570835288 /nfs/dbraw/zinc/83/52/88/570835288.db2.gz JOCRNDCZLARUNE-UHFFFAOYSA-N 0 2 383.452 2.704 50 0 GFAALN Cc1nc(C(=O)NCc2ccc(S(=O)(=O)Nc3nccs3)cc2)cs1 ZINC000084271983 571011745 /nfs/dbraw/zinc/01/17/45/571011745.db2.gz LGNHTPKNSWBOFO-UHFFFAOYSA-N 0 2 394.503 2.639 50 0 GFAALN C[C@H](NC(=O)c1ccc(Br)c(O)c1)C1(N2CCOCC2)CCCC1 ZINC000095978867 655030019 /nfs/dbraw/zinc/03/00/19/655030019.db2.gz QOSPKACOBFBCHC-ZDUSSCGKSA-N 0 2 397.313 2.918 50 0 GFAALN O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)N1)N1CCCCCC1 ZINC000009761947 206377151 /nfs/dbraw/zinc/37/71/51/206377151.db2.gz CRLRHFSJRISALX-UHFFFAOYSA-N 0 2 387.914 2.946 50 0 GFAALN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(=O)[nH]1 ZINC000005625459 206623444 /nfs/dbraw/zinc/62/34/44/206623444.db2.gz HNYVKTSHJDZYQF-UHFFFAOYSA-N 0 2 382.445 2.961 50 0 GFAALN 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/nfs/dbraw/zinc/10/15/99/551101599.db2.gz ZHGLWZBWIGWUAY-UHFFFAOYSA-N 0 2 375.233 2.902 50 0 GFAALN COc1ccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)cc1 ZINC000064919571 551185421 /nfs/dbraw/zinc/18/54/21/551185421.db2.gz GZFMPWHYRIEDKE-UHFFFAOYSA-N 0 2 380.491 2.722 50 0 GFAALN CCOC(=O)c1ncc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)[nH]1 ZINC000170617388 551635923 /nfs/dbraw/zinc/63/59/23/551635923.db2.gz WPHYCEZJLGMWBE-UHFFFAOYSA-N 0 2 377.344 2.547 50 0 GFAALN C[C@H]1C[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)c2ccsc2S1(=O)=O ZINC000292053658 563771992 /nfs/dbraw/zinc/77/19/92/563771992.db2.gz SXOUOOCCFXAKDB-WKEGUHRASA-N 0 2 391.392 2.908 50 0 GFAALN COC(=O)C[C@@H](c1ccc(F)c(F)c1F)c1c(O)nc2ccccn2c1=O ZINC000205968295 570346039 /nfs/dbraw/zinc/34/60/39/570346039.db2.gz BJCAWBHSHZSICA-JTQLQIEISA-N 0 2 378.306 2.512 50 0 GFAALN C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1 ZINC000004099034 570357408 /nfs/dbraw/zinc/35/74/08/570357408.db2.gz NOCJXYPHIIZEHN-UHFFFAOYSA-N 0 2 399.397 2.719 50 0 in-man 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/nfs/dbraw/zinc/70/27/55/570702755.db2.gz BDRHJNMEAMXDBU-UHFFFAOYSA-N 0 2 375.431 2.502 50 0 GFAALN O=C1N[C@H](c2ccc(F)cc2)C(=C(O)c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000170595631 570788266 /nfs/dbraw/zinc/78/82/66/570788266.db2.gz DJGDSNJZNRODIA-ZOWXZIJZSA-N 0 2 388.342 2.991 50 0 GFAALN CCOc1ccccc1[C@@H]1CC(c2c(O)[nH]c(=O)n(C3CCCCC3)c2=O)=NN1 ZINC000101762170 570832752 /nfs/dbraw/zinc/83/27/52/570832752.db2.gz XFWMKAANDDIDQS-HNNXBMFYSA-N 0 2 398.463 2.585 50 0 GFAALN CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2O)=NN1 ZINC000101762170 570832756 /nfs/dbraw/zinc/83/27/56/570832756.db2.gz XFWMKAANDDIDQS-HNNXBMFYSA-N 0 2 398.463 2.585 50 0 GFAALN O=C(CSc1nc(=O)cc(O)n1C1CCCC1)NCCc1ccc(F)cc1 ZINC000102137543 570841795 /nfs/dbraw/zinc/84/17/95/570841795.db2.gz WCLKZCWNHQVQQZ-UHFFFAOYSA-N 0 2 391.468 2.654 50 0 GFAALN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2OC)cc1 ZINC000047367475 570954766 /nfs/dbraw/zinc/95/47/66/570954766.db2.gz PDKIEISJGXWBSM-UHFFFAOYSA-N 0 2 398.506 2.527 50 0 GFAALN Cc1cc(COc2ccccc2)oc1C(=O)N1Cc2[nH]c[nH+]c2C[C@H]1C(=O)[O-] ZINC000095517937 571085241 /nfs/dbraw/zinc/08/52/41/571085241.db2.gz LSDUWIXMTWBCDH-KRWDZBQOSA-N 0 2 381.388 2.542 50 0 GFAALN Cc1cc(COc2ccccc2)oc1C(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)[O-] ZINC000095517937 571085243 /nfs/dbraw/zinc/08/52/43/571085243.db2.gz LSDUWIXMTWBCDH-KRWDZBQOSA-N 0 2 381.388 2.542 50 0 GFAALN CONC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000008768058 654487261 /nfs/dbraw/zinc/48/72/61/654487261.db2.gz OQYWDHPCNXNEFO-JTQLQIEISA-N 0 2 375.475 2.951 50 0 GFAALN O=C1NC(=S)NC1=Cc1cc(Br)c(O)c(Br)c1 ZINC000016383265 210188828 /nfs/dbraw/zinc/18/88/28/210188828.db2.gz SPEXCGVBDVZFJX-XVNBXDOJSA-N 0 2 378.045 2.674 50 0 GFAALN CS(=O)(=O)Nc1nc2ccc(C(=O)NC3Cc4ccccc4C3)cc2s1 ZINC000013685159 210079729 /nfs/dbraw/zinc/07/97/29/210079729.db2.gz RJWCRHHBFJXTMO-UHFFFAOYSA-N 0 2 387.486 2.565 50 0 GFAALN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)nc(C)n1 ZINC000002503157 209368778 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CCCCn1c(=O)[nH]c(O)c(C2=NN[C@H](c3cccc4ccccc43)C2)c1=O ZINC000101761963 570832806 /nfs/dbraw/zinc/83/28/06/570832806.db2.gz QUKIDTGLGOGHLY-INIZCTEOSA-N 0 2 378.432 2.634 50 0 GFAALN CCCCn1c(O)c(C2=NN[C@H](c3cccc4ccccc43)C2)c(=O)[nH]c1=O ZINC000101761963 570832809 /nfs/dbraw/zinc/83/28/09/570832809.db2.gz QUKIDTGLGOGHLY-INIZCTEOSA-N 0 2 378.432 2.634 50 0 GFAALN COC(=O)Cc1c(C)nc2[nH]c(C(c3ccccc3)c3ccccc3)nn2c1=O ZINC000101823657 570835672 /nfs/dbraw/zinc/83/56/72/570835672.db2.gz DJGJAZYNEDJUMC-UHFFFAOYSA-N 0 2 388.427 2.622 50 0 GFAALN Cc1cccc(C)c1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000072143105 570869888 /nfs/dbraw/zinc/86/98/88/570869888.db2.gz WDOVWRHTXADXCY-UHFFFAOYSA-N 0 2 388.489 2.605 50 0 GFAALN CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)s1 ZINC000002461657 654436802 /nfs/dbraw/zinc/43/68/02/654436802.db2.gz MOVNUQUFVMGGFY-UHFFFAOYSA-N 0 2 378.435 2.747 50 0 GFAALN O=C1N[C@H](c2ccc(F)cc2)C(=C(O)c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000001464636 212246731 /nfs/dbraw/zinc/24/67/31/212246731.db2.gz DJGDSNJZNRODIA-JMSVASOKSA-N 0 2 388.342 2.991 50 0 GFAALN O=C(NCCc1ccccc1)c1csc(NS(=O)(=O)c2ccccc2)n1 ZINC000012628001 221215428 /nfs/dbraw/zinc/21/54/28/221215428.db2.gz CZVZCDLAFUGVKO-UHFFFAOYSA-N 0 2 387.486 2.916 50 0 GFAALN COCC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000015729307 221341596 /nfs/dbraw/zinc/34/15/96/221341596.db2.gz QGKRLNDFBDXAOE-UHFFFAOYSA-N 0 2 391.474 2.990 50 0 GFAALN Cc1ccc(S(=O)(=O)Nc2nc(CCC(=O)N3CCCC3)cs2)cc1 ZINC000016848570 221371698 /nfs/dbraw/zinc/37/16/98/221371698.db2.gz XWPOLHXERKNAFI-UHFFFAOYSA-N 0 2 379.507 2.807 50 0 GFAALN CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000063879662 222069140 /nfs/dbraw/zinc/06/91/40/222069140.db2.gz BBUMELVYILCHIY-UHFFFAOYSA-N 0 2 377.846 2.825 50 0 GFAALN Cc1ccc(CN2CC[N@@H+](Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)CC2=O)cc1 ZINC000072133085 222211423 /nfs/dbraw/zinc/21/14/23/222211423.db2.gz DDFXVXQZEPLGTR-KRWDZBQOSA-N 0 2 382.460 2.691 50 0 GFAALN Cc1ccc(CN2CC[N@H+](Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)CC2=O)cc1 ZINC000072133085 222211425 /nfs/dbraw/zinc/21/14/25/222211425.db2.gz DDFXVXQZEPLGTR-KRWDZBQOSA-N 0 2 382.460 2.691 50 0 GFAALN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C[C@H]1OCCc2ccsc21 ZINC000089346574 222328265 /nfs/dbraw/zinc/32/82/65/222328265.db2.gz ADBXTJHCFBKPNH-GFCCVEGCSA-N 0 2 375.475 2.709 50 0 GFAALN Cc1nc2sc([C@H](c3ccccc3Cl)N3CC[NH+](C)CC3)c([O-])n2n1 ZINC000022468400 551117934 /nfs/dbraw/zinc/11/79/34/551117934.db2.gz WUSPQRRNTCRFMG-AWEZNQCLSA-N 0 2 377.901 2.795 50 0 GFAALN CCC(NCc1ccc(F)cc1)=C1C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O ZINC000020330721 570252299 /nfs/dbraw/zinc/25/22/99/570252299.db2.gz VZFUBBRTBOWUBM-ISLYRVAYSA-N 0 2 397.406 2.871 50 0 GFAALN O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1cccc(O)c1 ZINC000012324138 570314731 /nfs/dbraw/zinc/31/47/31/570314731.db2.gz RYICRCHGZJJZQC-UHFFFAOYSA-N 0 2 389.458 2.831 50 0 GFAALN COc1ccc(-c2nnc(CCC(=O)N(C)Cc3ccccc3)c(=O)[nH]2)cc1 ZINC000034762754 570333179 /nfs/dbraw/zinc/33/31/79/570333179.db2.gz GMNINCHYKNFADQ-UHFFFAOYSA-N 0 2 378.432 2.844 50 0 GFAALN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000005126512 570421089 /nfs/dbraw/zinc/42/10/89/570421089.db2.gz SUDYCSMXIWIQEK-UHFFFAOYSA-N 0 2 392.477 2.987 50 0 GFAALN O=C1COc2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2N1 ZINC000025694848 570434285 /nfs/dbraw/zinc/43/42/85/570434285.db2.gz QBDRWZCJZZNTIS-UHFFFAOYSA-N 0 2 389.252 2.642 50 0 GFAALN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(Cl)cc2F)C1=O ZINC000028019190 570450048 /nfs/dbraw/zinc/45/00/48/570450048.db2.gz UYBDOWVFJHNQDD-SFHVURJKSA-N 0 2 375.787 2.981 50 0 GFAALN Cc1cc(=O)n2nc(Cc3nc(-c4ccccc4C(F)(F)F)no3)[nH]c2n1 ZINC000032576439 570511192 /nfs/dbraw/zinc/51/11/92/570511192.db2.gz BIHKZOVJTNXWKY-UHFFFAOYSA-N 0 2 376.298 2.798 50 0 GFAALN COc1ccc(-c2nnc(CCC(=O)NCc3ccccc3F)c(=O)[nH]2)cc1 ZINC000034762782 570543934 /nfs/dbraw/zinc/54/39/34/570543934.db2.gz AETVDVPXLBHULB-UHFFFAOYSA-N 0 2 382.395 2.641 50 0 GFAALN O=C([O-])[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000262603559 570678710 /nfs/dbraw/zinc/67/87/10/570678710.db2.gz AHKRMOLLHWCPFL-RXVVDRJESA-N 0 2 391.471 2.965 50 0 GFAALN O=C([O-])[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000262603559 570678714 /nfs/dbraw/zinc/67/87/14/570678714.db2.gz AHKRMOLLHWCPFL-RXVVDRJESA-N 0 2 391.471 2.965 50 0 GFAALN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000095466309 655029675 /nfs/dbraw/zinc/02/96/75/655029675.db2.gz VXOXFCHQOIFNAW-UHFFFAOYSA-N 0 2 377.846 2.992 50 0 GFAALN